4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid

C15H14ClNO5S — CID 86807747

IUPAC4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)N(C)c2ccc(O)cc2)c1Cl
InChIInChI=1S/C15H14ClNO5S/c1-9-7-10(15(19)20)8-13(14(9)16)23(21,22)17(2)11-3-5-12(18)6-4-11/h3-8,18H,1-2H3,(H,19,20)
InChIKeyBTIRFNQWLBHAEX-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.88
Rot. Bonds4

About 4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid

4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid (PubChem CID 86807747) has the molecular formula C15H14ClNO5S and a molecular weight of 355.80 g/mol. Its IUPAC name is 4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid.

Molecular Properties

Compound Name4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid
PubChem CID86807747
Molecular FormulaC15H14ClNO5S
Molecular Weight355.80 g/mol
Exact Mass355.03
IUPAC Name4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid
SMILESCc1cc(C(=O)O)cc(S(=O)(=O)N(C)c2ccc(O)cc2)c1Cl
InChIInChI=1S/C15H14ClNO5S/c1-9-7-10(15(19)20)8-13(14(9)16)23(21,22)17(2)11-3-5-12(18)6-4-11/h3-8,18H,1-2H3,(H,19,20)
InChIKeyBTIRFNQWLBHAEX-UHFFFAOYSA-N
XLogP2.88
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid?
The IUPAC name of 4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid (CID 86807747) is 4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid.
What is the SMILES notation for 4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid?
The canonical SMILES for 4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid is Cc1cc(C(=O)O)cc(S(=O)(=O)N(C)c2ccc(O)cc2)c1Cl.
What is the InChIKey of 4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid?
The InChIKey is BTIRFNQWLBHAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S/c1-9-7-10(15(19)20)8-13(14(9)16)23(21,22)17(2)11-3-5-12(18)6-4-11/h3-8,18H,1-2H3,(H,19,20).
What are the key properties of 4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid?
4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid has a molecular weight of 355.80 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(4-hydroxyphenyl)-methylsulfamoyl]-5-methylbenzoic acid is sourced from PubChem (CID 86807747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).