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4-Methyl-N-(4-methylphenyl)benzenesulfonamide

HCID 69034
NotesReactions
Basic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
599-86-0
Standard SMILES
Cc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
GPLXRIVINNIQFY-UHFFFAOYSA-N
Molecular formula
C14H15NO2S
Average molar mass
261.34 g/mol
Monoisotopic mass
261.08234989

Names & identifiers

Preferred name
4-Methyl-N-(4-methylphenyl)benzenesulfonamide
IUPAC
4-methyl-N-(4-methylphenyl)benzenesulfonamide
English name
N-(p-tolyl)-p-toluenesulphonamide
Molecular formula
C14H15NO2S
Molecular weight
261.34

Names & synonyms

599-86-04-Methyl-N-(4-methylphenyl)benzenesulfonamideN-(p-Tolyl)-p-toluenesulphonamideDTXSID70208612RefChem:1071136DTXCID20131103209-975-94-methyl-N-(4-methylphenyl)benzene-1-sulfonamide4-Methyl-N-(p-tolyl)benzenesulfonamideBenzenesulfonamide, 4-methyl-N-(4-methylphenyl)-NSC-2219N-(p-Toluene sulfonyl)-p-toluidide
Show more names
4'-Methyl-p-toluenesulfoanilide4-Methylphenyl toluenesulfonamideN-(p-Tolyl)-4-methylbenzenesulfonamideN-(4-Methylphenyl)-4-methylbenzenesulfonamide4-Methyl-N-(4-methylphenyl)benzenesulfonamide (ACI)
NSC-49574N-(p-Tolyl)-p-toluenesulfonamideN-Tosyl-4-methylanilineNSC2219EINECS 209-975-9N-Tosyl-p-toluidineAI3-22944p-Toluylsulfonmethylanilid

Database identifiers

CAS
599-86-0
PubChem CID
69034
DTXSID
DTXSID70208612

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
54.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
18
Formal charge
0
Complexity
344

Physicochemical properties

Melting point
116 · 116-117 °C
Boiling point
403.7 · 403.7±48.0 °C(Predicted)
Density
1.237 · 1.237±0.06 g/cm3(Predicted)
pka
9.08 · 9.08±0.10(Predicted)

Chemistry & industry

Upstream & downstream products

Downstream products

3-[(Toluene-4-sulfonyl)-p-tolyl-amino]-propionic acid

Suppliers15 total

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
烟台盛凯伦化学科技有限公司13356901049 · [email protected]
陕西爱施达尔生物科技有限公司18682931470; 18682931470 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]

Related reactions

5 records
New reaction record
HRID 824476 reaction equation
HRID 824476As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 984651 reaction equation
HRID 984651As productuspto-grants-2005_03
HRID 1243070 reaction equation
HRID 1243070As productuspto-grants-2006_10
HRID 1883415 reaction equation
HRID 1883415As productuspto-grants-2004_07
HRID 2179244 reaction equation
HRID 2179244As productuspto-grants-2015_06

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
ChEMBL
CHEMBL181965
UNII
EH5J6269BH
EC Number
209-975-9
Nikkaji
J30.832C
济南利恒生物科技有限公司
0531-18763987518 18763987518 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]