3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid

C15H14ClNO4S — CID 174539221

IUPAC3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNS(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO4S/c16-13-5-2-6-14(10-13)22(20,21)17-8-7-11-3-1-4-12(9-11)15(18)19/h1-6,9-10,17H,7-8H2,(H,18,19)
InChIKeyPXUMBUOAFUWMQN-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.56
Rot. Bonds6

About 3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid

3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid (PubChem CID 174539221) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid
PubChem CID174539221
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNS(=O)(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO4S/c16-13-5-2-6-14(10-13)22(20,21)17-8-7-11-3-1-4-12(9-11)15(18)19/h1-6,9-10,17H,7-8H2,(H,18,19)
InChIKeyPXUMBUOAFUWMQN-UHFFFAOYSA-N
XLogP2.56
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-chlorophenyl)ethylsulfamoyl]-N-cyclopropylbenzamide
CID 109062317
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 61017413
2-[3-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]-2-sulfinylacetic acid
CID 88510745
3-chloro-N-(3-phenylpropyl)benzenesulfonamide
CID 26948501
4-[2-(3-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61073730
3-chloro-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605350
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 30329371
3-[2-[4-(dimethylamino)phenyl]ethylsulfamoyl]benzoic acid
CID 110627132
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
3-(hydrazinecarbonyl)-N-(2-phenylethyl)benzenesulfonamide
CID 100656698
3-(propylsulfamoyl)benzoic acid
CID 2442822
N-benzyl-3-chlorobenzenesulfonamide
CID 2405255

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid?
The IUPAC name of 3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid (CID 174539221) is 3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid.
What is the SMILES notation for 3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid?
The canonical SMILES for 3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid is O=C(O)c1cccc(CCNS(=O)(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of 3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid?
The InChIKey is PXUMBUOAFUWMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c16-13-5-2-6-14(10-13)22(20,21)17-8-7-11-3-1-4-12(9-11)15(18)19/h1-6,9-10,17H,7-8H2,(H,18,19).
What are the key properties of 3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid?
3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid has a molecular weight of 339.80 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid is sourced from PubChem (CID 174539221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).