3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid

C15H14ClNO5S — CID 51126123

IUPAC3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)O)c2O)c(Cl)c1
InChIInChI=1S/C15H14ClNO5S/c1-8-3-4-12(11(16)6-8)17-23(21,22)13-7-9(2)5-10(14(13)18)15(19)20/h3-7,17-18H,1-2H3,(H,19,20)
InChIKeyQTDQKXRURPBZKQ-UHFFFAOYSA-N
MW355.80 g/mol
LogP3.16
Rot. Bonds4

About 3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid

3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid (PubChem CID 51126123) has the molecular formula C15H14ClNO5S and a molecular weight of 355.80 g/mol. Its IUPAC name is 3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
PubChem CID51126123
Molecular FormulaC15H14ClNO5S
Molecular Weight355.80 g/mol
Exact Mass355.03
IUPAC Name3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
SMILESCc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)O)c2O)c(Cl)c1
InChIInChI=1S/C15H14ClNO5S/c1-8-3-4-12(11(16)6-8)17-23(21,22)13-7-9(2)5-10(14(13)18)15(19)20/h3-7,17-18H,1-2H3,(H,19,20)
InChIKeyQTDQKXRURPBZKQ-UHFFFAOYSA-N
XLogP3.16
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dichlorophenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
CID 51127324
2-[(2-chlorophenyl)sulfonylamino]-5-methylbenzoic acid
CID 28970995
2-hydroxy-5-methyl-3-[(2-phenylphenyl)sulfamoyl]benzoic acid
CID 166324508
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79885869
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114842
5-methyl-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 51113768
3-[(2-chloro-4-methylphenyl)sulfonylamino]-4-methylbenzoic acid
CID 32673907
3,4-dichloro-5-[(2,4-dimethylphenyl)sulfamoyl]benzoic acid
CID 78843133
2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
CID 43258932
2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
CID 2471817
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)pyridine-3-sulfonamide
CID 22515878

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid?
The IUPAC name of 3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid (CID 51126123) is 3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid.
What is the SMILES notation for 3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid?
The canonical SMILES for 3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid is Cc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)O)c2O)c(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid?
The InChIKey is QTDQKXRURPBZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S/c1-8-3-4-12(11(16)6-8)17-23(21,22)13-7-9(2)5-10(14(13)18)15(19)20/h3-7,17-18H,1-2H3,(H,19,20).
What are the key properties of 3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid?
3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid has a molecular weight of 355.80 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid is sourced from PubChem (CID 51126123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).