4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid

C14H13ClN2O4S — CID 139003554

IUPAC4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1S(=O)(=O)NCc1cc(Cl)ccn1
InChIInChI=1S/C14H13ClN2O4S/c1-9-6-10(14(18)19)2-3-13(9)22(20,21)17-8-12-7-11(15)4-5-16-12/h2-7,17H,8H2,1H3,(H,18,19)
InChIKeyMUIHXZJGSDACBT-UHFFFAOYSA-N
MW340.79 g/mol
LogP2.22
Rot. Bonds5

About 4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid

4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid (PubChem CID 139003554) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is 4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid.

Molecular Properties

Compound Name4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid
PubChem CID139003554
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC Name4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1S(=O)(=O)NCc1cc(Cl)ccn1
InChIInChI=1S/C14H13ClN2O4S/c1-9-6-10(14(18)19)2-3-13(9)22(20,21)17-8-12-7-11(15)4-5-16-12/h2-7,17H,8H2,1H3,(H,18,19)
InChIKeyMUIHXZJGSDACBT-UHFFFAOYSA-N
XLogP2.22
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-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-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid?
The IUPAC name of 4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid (CID 139003554) is 4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid.
What is the SMILES notation for 4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid?
The canonical SMILES for 4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1S(=O)(=O)NCc1cc(Cl)ccn1.
What is the InChIKey of 4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid?
The InChIKey is MUIHXZJGSDACBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c1-9-6-10(14(18)19)2-3-13(9)22(20,21)17-8-12-7-11(15)4-5-16-12/h2-7,17H,8H2,1H3,(H,18,19).
What are the key properties of 4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid?
4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid has a molecular weight of 340.79 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-pyridinyl)methylsulfamoyl]-3-methylbenzoic acid is sourced from PubChem (CID 139003554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).