3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid

C15H14ClNO6S — CID 56798967

IUPAC3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(Cl)c1OC
InChIInChI=1S/C15H14ClNO6S/c1-22-12-7-6-9(15(18)19)8-13(12)24(20,21)17-11-5-3-4-10(16)14(11)23-2/h3-8,17H,1-2H3,(H,18,19)
InChIKeyBPLYBFOPXNAZOI-UHFFFAOYSA-N
MW371.80 g/mol
LogP2.86
Rot. Bonds6

About 3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid

3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid (PubChem CID 56798967) has the molecular formula C15H14ClNO6S and a molecular weight of 371.80 g/mol. Its IUPAC name is 3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid
PubChem CID56798967
Molecular FormulaC15H14ClNO6S
Molecular Weight371.80 g/mol
Exact Mass371.02
IUPAC Name3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(Cl)c1OC
InChIInChI=1S/C15H14ClNO6S/c1-22-12-7-6-9(15(18)19)8-13(12)24(20,21)17-11-5-3-4-10(16)14(11)23-2/h3-8,17H,1-2H3,(H,18,19)
InChIKeyBPLYBFOPXNAZOI-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

4-methoxy-3-[(2-methoxyphenyl)sulfamoyl]benzoic acid
CID 777278
5-[(3-chloro-2-methoxyphenyl)sulfamoyl]-2-methoxybenzoic acid
CID 56798970
4-methoxy-3-(quinolin-8-ylsulfamoyl)benzoic acid
CID 24502180
4-[(2,5-dimethoxyphenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 7720378
3-[(5-carboxy-2-methoxyphenyl)sulfonylamino]-4-phenoxybenzoic acid
CID 56507584
4-methoxy-3-[(3-methylphenyl)sulfamoyl]benzoic acid
CID 1332709
4-chloro-3-[(2-methoxy-5-sulfamoylphenyl)sulfamoyl]benzoic acid
CID 100820520
N-(2,3-dichlorophenyl)-5-fluoro-2-methoxybenzenesulfonamide
CID 1256564
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4312419
3-[[4-(tert-butylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24663137
3-[[4-(dimethylcarbamoyl)phenyl]sulfamoyl]-4-methoxybenzoic acid
CID 24580838
N-(3-chloro-2-methoxyphenyl)-4-fluoro-2-(trifluoromethyl)benzenesulfonamide
CID 86887971

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid?
The IUPAC name of 3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid (CID 56798967) is 3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(Cl)c1OC.
What is the InChIKey of 3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid?
The InChIKey is BPLYBFOPXNAZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO6S/c1-22-12-7-6-9(15(18)19)8-13(12)24(20,21)17-11-5-3-4-10(16)14(11)23-2/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid?
3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-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 3-[(3-chloro-2-methoxyphenyl)sulfamoyl]-4-methoxybenzoic acid is sourced from PubChem (CID 56798967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).