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

C14H11Cl2NO5S — CID 992252

IUPAC2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO5S/c1-22-9-4-2-8(3-5-9)17-23(20,21)13-6-10(14(18)19)11(15)7-12(13)16/h2-7,17H,1H3,(H,18,19)
InChIKeyNRPBJEMEHKHKFB-UHFFFAOYSA-N
MW376.22 g/mol
LogP3.50
Rot. Bonds5

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

2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid (PubChem CID 992252) has the molecular formula C14H11Cl2NO5S and a molecular weight of 376.22 g/mol. Its IUPAC name is 2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
PubChem CID992252
Molecular FormulaC14H11Cl2NO5S
Molecular Weight376.22 g/mol
Exact Mass374.97
IUPAC Name2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO5S/c1-22-9-4-2-8(3-5-9)17-23(20,21)13-6-10(14(18)19)11(15)7-12(13)16/h2-7,17H,1H3,(H,18,19)
InChIKeyNRPBJEMEHKHKFB-UHFFFAOYSA-N
XLogP3.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.22
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-5-(pyridin-4-ylsulfamoyl)benzoic acid
CID 29050395
2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid
CID 58937137
2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 138042252
2-chloro-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
CID 32672944
2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
CID 2471817
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
2,4-dichloro-5-[(2-methyl-1,3-benzothiazol-5-yl)sulfamoyl]benzoic acid
CID 10432094
5-amino-2-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 3521355
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(4-methoxyphenyl)benzamide
CID 5295477
2,4-dichloro-5-(chlorosulfamoyl)benzoic acid
CID 141397488
2,4-dichloro-5-(2-methylpropylsulfamoyl)benzoic acid
CID 877955

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid (CID 992252) is 2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid is COc1ccc(NS(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
The InChIKey is NRPBJEMEHKHKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO5S/c1-22-9-4-2-8(3-5-9)17-23(20,21)13-6-10(14(18)19)11(15)7-12(13)16/h2-7,17H,1H3,(H,18,19).
What are the key properties of 2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid?
2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid has a molecular weight of 376.22 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 992252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).