4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid

C14H13ClN2O5S — CID 13348413

IUPAC4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid
SMILESCOc1ccccc1Nc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C14H13ClN2O5S/c1-22-12-5-3-2-4-10(12)17-11-7-9(15)13(23(16,20)21)6-8(11)14(18)19/h2-7,17H,1H3,(H,18,19)(H2,16,20,21)
InChIKeyWIASPXVAVDQUDZ-UHFFFAOYSA-N
MW356.79 g/mol
LogP2.44
Rot. Bonds5

About 4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid

4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid (PubChem CID 13348413) has the molecular formula C14H13ClN2O5S and a molecular weight of 356.79 g/mol. Its IUPAC name is 4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid.

Molecular Properties

Compound Name4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid
PubChem CID13348413
Molecular FormulaC14H13ClN2O5S
Molecular Weight356.79 g/mol
Exact Mass356.02
IUPAC Name4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid
SMILESCOc1ccccc1Nc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O
InChIInChI=1S/C14H13ClN2O5S/c1-22-12-5-3-2-4-10(12)17-11-7-9(15)13(23(16,20)21)6-8(11)14(18)19/h2-7,17H,1H3,(H,18,19)(H2,16,20,21)
InChIKeyWIASPXVAVDQUDZ-UHFFFAOYSA-N
XLogP2.44
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-methoxyanilino)-2-methyl-5-methylsulfonylbenzoyl chloride
CID 18930159
2-[(2-methoxyphenyl)methylamino]-4-phenoxy-5-sulfamoylbenzoic acid
CID 21487306
2-(2-methoxyanilino)benzenesulfonic acid
CID 54523549
4-chloro-5-sulfamoyl-2-(thiophen-2-ylmethylamino)benzoic acid
CID 67131835
4-chloro-5-chlorosulfonyl-2-methoxybenzoic acid
CID 10517227
2-fluoro-5-(2-methoxyanilino)benzoic acid
CID 82537069
2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
CID 2471817
CID 68522905
CID 68522905
2-amino-5-chloro-4-sulfamoylbenzoic acid
CID 163729654
2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
CID 43091453
5-carbamoyl-6-(2-methoxyanilino)-2-methylpyridine-3-carboxylic acid
CID 3077597
bis(2,4-dichloro-5-sulfamoylbenzoic acid);ethane-1,2-diamine
CID 50942703

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid?
The IUPAC name of 4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid (CID 13348413) is 4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid.
What is the SMILES notation for 4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid?
The canonical SMILES for 4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid is COc1ccccc1Nc1cc(Cl)c(S(N)(=O)=O)cc1C(=O)O.
What is the InChIKey of 4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid?
The InChIKey is WIASPXVAVDQUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O5S/c1-22-12-5-3-2-4-10(12)17-11-7-9(15)13(23(16,20)21)6-8(11)14(18)19/h2-7,17H,1H3,(H,18,19)(H2,16,20,21).
What are the key properties of 4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid?
4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid has a molecular weight of 356.79 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methoxyanilino)-5-sulfamoylbenzoic acid is sourced from PubChem (CID 13348413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).