5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid

C15H14ClNO6S — CID 56798970

IUPAC5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2OC)cc1C(=O)O
InChIInChI=1S/C15H14ClNO6S/c1-22-13-7-6-9(8-10(13)15(18)19)24(20,21)17-12-5-3-4-11(16)14(12)23-2/h3-8,17H,1-2H3,(H,18,19)
InChIKeyCWLPPGQZNOSLKM-UHFFFAOYSA-N
MW371.80 g/mol
LogP2.86
Rot. Bonds6

About 5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid

5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid (PubChem CID 56798970) has the molecular formula C15H14ClNO6S and a molecular weight of 371.80 g/mol. Its IUPAC name is 5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid
PubChem CID56798970
Molecular FormulaC15H14ClNO6S
Molecular Weight371.80 g/mol
Exact Mass371.02
IUPAC Name5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2OC)cc1C(=O)O
InChIInChI=1S/C15H14ClNO6S/c1-22-13-7-6-9(8-10(13)15(18)19)24(20,21)17-12-5-3-4-11(16)14(12)23-2/h3-8,17H,1-2H3,(H,18,19)
InChIKeyCWLPPGQZNOSLKM-UHFFFAOYSA-N
XLogP2.86
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.80
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-fluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812258
3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid
CID 56798967
2-methoxy-5-(pyrimidin-2-ylsulfamoyl)benzoic acid
CID 43323984
5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56812265
2-methoxy-5-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83005779
2-methoxy-5-(1H-pyrazol-5-ylsulfamoyl)benzoic acid
CID 61394386
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
5-(1H-imidazol-2-ylsulfamoyl)-2-methoxybenzoic acid
CID 63565237
3-[[2-chloro-5-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 1356397
2-methoxy-5-(prop-2-ynylsulfamoyl)benzoic acid
CID 43323987
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
N-(2-chlorophenyl)-4-methoxy-3-nitrobenzenesulfonamide
CID 3964142

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid?
The IUPAC name of 5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid (CID 56798970) is 5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid.
What is the SMILES notation for 5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid?
The canonical SMILES for 5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid is COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2OC)cc1C(=O)O.
What is the InChIKey of 5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid?
The InChIKey is CWLPPGQZNOSLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO6S/c1-22-13-7-6-9(8-10(13)15(18)19)24(20,21)17-12-5-3-4-11(16)14(12)23-2/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid?
5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid has a molecular weight of 371.80 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid is sourced from PubChem (CID 56798970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).