2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid

C14H12ClNO5S — CID 694302

IUPAC2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H12ClNO5S/c1-21-10-4-2-9(3-5-10)16-22(19,20)11-6-7-13(15)12(8-11)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyWQVGFKAYHAUMLS-UHFFFAOYSA-N
MW341.77 g/mol
LogP2.85
Rot. Bonds5

About 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid

2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 694302) has the molecular formula C14H12ClNO5S and a molecular weight of 341.77 g/mol. Its IUPAC name is 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
PubChem CID694302
Molecular FormulaC14H12ClNO5S
Molecular Weight341.77 g/mol
Exact Mass341.01
IUPAC Name2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1
InChIInChI=1S/C14H12ClNO5S/c1-21-10-4-2-9(3-5-10)16-22(19,20)11-6-7-13(15)12(8-11)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKeyWQVGFKAYHAUMLS-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

3-[Benzyl(4-methoxyphenyl)sulfamoyl]-4-chlorobenzoic acid
CID 2440131
3-[(4-Methoxyphenyl)sulfamoyl]benzoic acid
CID 766535
2-Amino-5-((4-methoxyphenyl)sulfamoyl)benzoic acid
CID 2357265
3-{[4-(Benzyloxy)phenyl]sulfamoyl}benzoic acid
CID 2369482
5-[(4-Methoxyphenyl)sulfamoyl]-2-methylbenzoic acid
CID 851353
3-[(4-Methoxyphenyl)sulfamoyl]-4-methylbenzoic acid
CID 2329148
4-[(4-methoxyphenyl)sulfamoyl]benzoic Acid
CID 2376812
5-(3-Carboxy-4-chlorobenzenesulfonamido)-2-hydroxybenzoic acid
CID 992605
Cambridge id 5211150
CID 1076740
2,4-Dichloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)benzoic acid
CID 1267158
4-chloro-3-[(4-phenylmethoxyphenyl)sulfamoyl]benzoic Acid
CID 2473406
2-Chloro-5-[(4-methoxy-3-piperidin-1-ylsulfonylphenyl)sulfamoyl]benzoic acid
CID 3891892

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid (CID 694302) is 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid is COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is WQVGFKAYHAUMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO5S/c1-21-10-4-2-9(3-5-10)16-22(19,20)11-6-7-13(15)12(8-11)14(17)18/h2-8,16H,1H3,(H,17,18).
What are the key properties of 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
2-chloro-5-[(4-methoxyphenyl)sulfamoyl]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 2-chloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 694302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).