4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid

C14H12ClNO5S — CID 39845027

IUPAC4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid
SMILESCOc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)ccc1Cl
InChIInChI=1S/C14H12ClNO5S/c1-21-13-8-11(6-7-12(13)15)22(19,20)16-10-4-2-9(3-5-10)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyWEAMEJXFLDYXNO-UHFFFAOYSA-N
MW341.77 g/mol
LogP2.85
Rot. Bonds5

About 4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid

4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid (PubChem CID 39845027) has the molecular formula C14H12ClNO5S and a molecular weight of 341.77 g/mol. Its IUPAC name is 4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid
PubChem CID39845027
Molecular FormulaC14H12ClNO5S
Molecular Weight341.77 g/mol
Exact Mass341.01
IUPAC Name4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid
SMILESCOc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)ccc1Cl
InChIInChI=1S/C14H12ClNO5S/c1-21-13-8-11(6-7-12(13)15)22(19,20)16-10-4-2-9(3-5-10)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyWEAMEJXFLDYXNO-UHFFFAOYSA-N
XLogP2.85
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chloro-2,5-dimethoxyphenyl)sulfonylamino]benzoic acid
CID 15944041
4-chloro-N-(3,5-dimethylphenyl)-3-methoxybenzenesulfonamide
CID 15944074
4-[[3-[(3,4-dichlorophenyl)sulfonylamino]-4,5-dimethoxybenzoyl]amino]benzoic acid
CID 11977883
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 57119574
3-amino-N-(4-chloro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 107620728
2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid
CID 58937137
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
4-[(3,4-dichlorophenyl)sulfonylamino]-N-methoxybenzamide
CID 18154799
3-chloro-4-methoxy-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 99967101
4-[(4-iodo-3-methylphenyl)sulfonylamino]benzoic acid
CID 71671368
3-amino-N-(4-chloro-3-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 107620734

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid?
The IUPAC name of 4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid (CID 39845027) is 4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid.
What is the SMILES notation for 4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid?
The canonical SMILES for 4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid is COc1cc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)ccc1Cl.
What is the InChIKey of 4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid?
The InChIKey is WEAMEJXFLDYXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO5S/c1-21-13-8-11(6-7-12(13)15)22(19,20)16-10-4-2-9(3-5-10)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid?
4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid has a molecular weight of 341.77 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-3-methoxyphenyl)sulfonylamino]benzoic acid is sourced from PubChem (CID 39845027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).