3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid

C14H12ClNO4S — CID 4801006

IUPAC3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO4S/c1-9-6-7-10(14(17)18)8-12(9)16-21(19,20)13-5-3-2-4-11(13)15/h2-8,16H,1H3,(H,17,18)
InChIKeyQIBDTMGQLZHFSU-UHFFFAOYSA-N
MW325.77 g/mol
LogP3.15
Rot. Bonds4

About 3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid

3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid (PubChem CID 4801006) has the molecular formula C14H12ClNO4S and a molecular weight of 325.77 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
PubChem CID4801006
Molecular FormulaC14H12ClNO4S
Molecular Weight325.77 g/mol
Exact Mass325.02
IUPAC Name3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C14H12ClNO4S/c1-9-6-7-10(14(17)18)8-12(9)16-21(19,20)13-5-3-2-4-11(13)15/h2-8,16H,1H3,(H,17,18)
InChIKeyQIBDTMGQLZHFSU-UHFFFAOYSA-N
XLogP3.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid
CID 32673907
2-chloro-N-[5-(hydroxymethyl)-2-methylphenyl]benzenesulfonamide
CID 111444701
3-[(2-chlorophenyl)sulfonylamino]-4-propoxybenzoic acid
CID 110504298
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
4-fluoro-3-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 63000199
3-bromo-4-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 78851015
4-methyl-3-(naphthalen-2-ylsulfonylamino)benzoic acid
CID 2451680
3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 25047152
4-chloro-3-[(4-methyl-3-pyridinyl)sulfamoyl]benzoic acid
CID 63327821
3-[(2-chlorophenyl)sulfonylamino]-4-(3-methylpiperidin-1-yl)benzoic acid
CID 46292374
3-[(2,4-dimethoxyphenyl)sulfonylamino]-4-methylbenzoic acid
CID 45330107
3-[(2-chlorophenyl)sulfonylamino]-4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]benzoic acid
CID 92888037

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid?
The IUPAC name of 3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid (CID 4801006) is 3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid?
The canonical SMILES for 3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid?
The InChIKey is QIBDTMGQLZHFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4S/c1-9-6-7-10(14(17)18)8-12(9)16-21(19,20)13-5-3-2-4-11(13)15/h2-8,16H,1H3,(H,17,18).
What are the key properties of 3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid?
3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid has a molecular weight of 325.77 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfonylamino]-4-methylbenzoic acid is sourced from PubChem (CID 4801006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).