3-(Cyclohexylsulfamoyl)benzoic acid

HCID 779108
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Basic information

CAS
313346-39-3
Standard SMILES
O=C(O)c1cccc(S(=O)(=O)NC2CCCCC2)c1
InChIKey
PULRHAMYNRDQIN-UHFFFAOYSA-N
Molecular formula
C13H17NO4S
Average molar mass
283.35 g/mol
Monoisotopic mass
283.0878292

Names & identifiers

Preferred name
3-(Cyclohexylsulfamoyl)benzoic acid
IUPAC
3-(cyclohexylsulfamoyl)benzoic acid
English name
3-(CyclohexylsulfaMoyl)benzoic acid
Molecular formula
C13H17NO4S
Molecular weight
283.34

Names & synonyms

3-(cyclohexylsulfamoyl)benzoic acid313346-39-3MFCD034691823-[(CYCLOHEXYLAMINO)SULFONYL]BENZOIC ACIDOprea1_383360Oprea1_623273AQ-390/13495113SCHEMBL925723DTXSID603546923-(cyclohexylsulfamoyl)benzoicacidPULRHAMYNRDQIN-UHFFFAOYSA-NAKOS000129275
Show more names
Benzoic acid, 3-[(cyclohexylamino)sulfonyl]-
SB82115BS-28337CS-0210208SR-01000206025SR-01000206025-1

Database identifiers

CAS
313346-39-3
PubChem CID
779108
DTXSID
DTXSID60354692

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
91.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
19

Physicochemical properties

Boiling point
490.3 · 490.3±47.0 °C(Predicted)
Density
1.36 · 1.36±0.1 g/cm3(Predicted)
pka
3.69 · 3.69±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335

Safety & regulation

Safety data

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

Chemistry & industry

Suppliers4 total

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]

Related reactions

16 records
New reaction record

Compound notes

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