Sulfanitran

HCID 5334

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 122-16-7
Standard SMILES: CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
InChIKey: GWBPFRGXNGPPMF-UHFFFAOYSA-N
Molecular formula: C14H13N3O5S
Average molar mass: 335.34 g/mol
Monoisotopic mass: 335.0575917

Overview

N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide is a sulfonamide.

Names & identifiers

Preferred name: Sulfanitran
IUPAC: N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide
English name: Sulfanitran
Molecular formula: C14H13N3O5S
Molecular weight: 335.34

Names & synonyms

sulfanitran122-16-7SulfanitranumN-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamideDTXSID4045898NSC-771204'-((p-Nitrophenyl)sulfamoyl)acetanilideNSC-217299QT35T5T35QAcetyl(p-nitrophenyl)sulfanilamideNSC77120NSC217299

Show more names

APNPSNSC 217299sulfanitran85+%Sulfanitran Standardsulfanitranapprox.85%C17000050 Sulfanitransulfanitran approx. 85%

DTXCID2025898N-{4-[(4-nitrophenyl)sulfamoyl]phenyl}acetamideACETYL[P-NITROPHENYL]SULFANILAMIDE4'-[(p-Nitrophenyl)sulfamoyl]acetanilideN-(4-((4-nitrophenyl)sulfamoyl)phenyl)acetamideN-acetyl-4-nitrophenylsulfanilamide4'-((4-nitrophenyl)sulfamoyl)acetanilideRefChem:889529

Database identifiers

CAS: 122-16-7
PubChem CID: 5334
DTXSID: DTXSID4045898
ChEMBL: CHEMBL493636
ChEBI: CHEBI:114204
UNII: QT35T5T35Q
Nikkaji: J5.351A

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 129 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 524

Experimental & physicochemical properties

DrugsPharmaceuticals -> Antibiotics

Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan

Collision Cross Section · 2 items

172.54 Å² [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

173.2 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physicochemical properties

Melting point: 239 · 239-240° (Kaufmann); mp 264° (Shepherd)
Density: 1.5 · 1.500±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 7.42 · 7.42±0.10(Predicted)
color: yellow to greenish-yellow
BRN: 2952955 · 2952955
Major Application: clinical testing
InChI: 1S/C14H13N3O5S/c1-10(18)15-11-4-8-14(9-5-11)23(21,22)16-12-2-6-13(7-3-12)17(19)20/h2-9,16H,1H3,(H,15,18)
InChIKey: GWBPFRGXNGPPMF-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2)[N+]([O-])=O
FDA UNII: 35 T5T35Q · QT35T5T35Q
UNSPSC Code: 41116107 · 41116107
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
Storage Class: 11 - Combustible Solids

Chemistry & industry

Uses & manufacturing

Use ClassificationPharmaceuticals -> Animal Drugs -> Approved in Taiwan

Applications

UsesSulfanitran is a sulfanomide derivative used as an anticoccidial drug. Sulfanitran is added to the drinking water of chickens as an aid in the treatment of coccidiosis caused by E. tenella, E. necatrix, and E. acervulina.

Usesanti-hypertensive

Upstream & downstream products

Upstream raw materials

4-Nitroaniline N-Acetylsulfanilyl chloride

Suppliers47 total

艾吉析科技（上海）有限公司17717235263 · [email protected]

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

成都彼样生物科技有限公司18108052721 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]

Additional notes

DefinitionChEBI: N-[4-[(4-nitrophenyl)sulfamoyl]phenyl]acetamide is a sulfonamide.

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…