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4-Ethoxybenzenesulfonamide

HCID 3724005
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Basic informationNames & identifiersPropertiesSafety & regulationRelated reactionsCompound notes
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Basic information

CAS
1132-19-0
Standard SMILES
CCOc1ccc(S(N)(=O)=O)cc1
InChIKey
ILKGEOVHANZEFC-UHFFFAOYSA-N
Molecular formula
C8H11NO3S
Average molar mass
201.25 g/mol
Monoisotopic mass
201.04596439

Names & identifiers

Preferred name
4-Ethoxybenzenesulfonamide
IUPAC
4-ethoxybenzenesulfonamide
English name
4-ETHOXY-BENZENESULFONAMIDE
Molecular formula
C8H11NO3S
Molecular weight
201.24

Names & synonyms

4-ethoxybenzenesulfonamide1132-19-0DTXSID10395555RefChem:292485DTXCID403464144-Ethoxy-benzenesulfonamide4-ethoxybenzene-1-sulfonamideCHEMBL34029584-Ethoxy-benzolsulfamid3W8Oprea1_683049Oprea1_871298
Show more names
Benzenesulfonamide, 4-ethoxy-IFLab1_001901SCHEMBL4706398ILKGEOVHANZEFC-UHFFFAOYSA-NHMS1417G09BAA13219BDBM50066135EBC-06394

Database identifiers

CAS
1132-19-0
PubChem CID
3724005
DTXSID
DTXSID10395555
ChEMBL
CHEMBL3402958
EC Number
883-612-8
Nikkaji
J3.401.174E

Properties

Computed structural propertiesFilling in

XLogP
0.8
Topological polar surface area
77.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
237

Physicochemical properties

Melting point
149 °C · 149 °C
Boiling point
360.9 · 360.9±44.0 °C(Predicted)
Density
1.266 · 1.266±0.06 g/cm3(Predicted)
pka
10.27 · 10.27±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

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

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Related reactions

2 records
New reaction record
HRID 214368 reaction equation
HRID 214368As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 891111 reaction equation
HRID 891111As reactantuspto-grants-2006_02

Compound notes

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