3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid

C18H16N2O4S2 — CID 56874864

IUPAC3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
SMILESCc1ccsc1-c1cc(C(=O)O)cc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H16N2O4S2/c1-12-5-7-25-17(12)13-8-14(18(21)22)10-16(9-13)26(23,24)20-11-15-4-2-3-6-19-15/h2-10,20H,11H2,1H3,(H,21,22)
InChIKeySHPCYUCGDBVBFH-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.30
Rot. Bonds6

About 3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid

3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid (PubChem CID 56874864) has the molecular formula C18H16N2O4S2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
PubChem CID56874864
Molecular FormulaC18H16N2O4S2
Molecular Weight388.47 g/mol
Exact Mass388.06
IUPAC Name3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid
SMILESCc1ccsc1-c1cc(C(=O)O)cc(S(=O)(=O)NCc2ccccn2)c1
InChIInChI=1S/C18H16N2O4S2/c1-12-5-7-25-17(12)13-8-14(18(21)22)10-16(9-13)26(23,24)20-11-15-4-2-3-6-19-15/h2-10,20H,11H2,1H3,(H,21,22)
InChIKeySHPCYUCGDBVBFH-UHFFFAOYSA-N
XLogP3.30
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic 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 3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
The IUPAC name of 3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid (CID 56874864) is 3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid.
What is the SMILES notation for 3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
The canonical SMILES for 3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid is Cc1ccsc1-c1cc(C(=O)O)cc(S(=O)(=O)NCc2ccccn2)c1.
What is the InChIKey of 3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
The InChIKey is SHPCYUCGDBVBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4S2/c1-12-5-7-25-17(12)13-8-14(18(21)22)10-16(9-13)26(23,24)20-11-15-4-2-3-6-19-15/h2-10,20H,11H2,1H3,(H,21,22).
What are the key properties of 3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid?
3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid has a molecular weight of 388.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylthiophen-2-yl)-5-(pyridin-2-ylmethylsulfamoyl)benzoic acid is sourced from PubChem (CID 56874864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).