N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

C15H13N3O2S2 — CID 110317951

IUPACN-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccccn2)cs1)c1ccccc1
InChIInChI=1S/C15H13N3O2S2/c19-22(20,12-6-2-1-3-7-12)17-10-15-18-14(11-21-15)13-8-4-5-9-16-13/h1-9,11,17H,10H2
InChIKeyGPBSQRPRGAQMIZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.68
Rot. Bonds5

About N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide

N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 110317951) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
PubChem CID110317951
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC NameN-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1nc(-c2ccccn2)cs1)c1ccccc1
InChIInChI=1S/C15H13N3O2S2/c19-22(20,12-6-2-1-3-7-12)17-10-15-18-14(11-21-15)13-8-4-5-9-16-13/h1-9,11,17H,10H2
InChIKeyGPBSQRPRGAQMIZ-UHFFFAOYSA-N
XLogP2.68
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

4-Phenyl-2-(4-pyridyl)thiazole
CID 738483
N-(4-(2-(2-propylpyridin-4-yl)thiazol-4-yl)phenyl)methanesulfonamide
CID 25012898
5-(2-Pyridinyl)-2-thiophenesulfonamide
CID 2760514
2-Phenyl-4-pyridin-3-yl-1,3-thiazole
CID 2725998
2-(3-Pyridinyl)-4-[4-(1-pyrrolidinylsulfonyl)phenyl]thiazole
CID 1033156
2,4,6-trimethyl-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7202342
6-(Phenylsulfonyl)pyridine-3-sulfonamide
CID 819426
5-(2-pyridinyl)-N-[2-(2-pyridinyl)ethyl]-2-thiophenesulfonamide
CID 2738785
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyridine-3-sulfonamide
CID 16195644
3-{4-[4-(Methylsulfonyl)phenyl]-1,3-thiazol-2-yl}pyridine
CID 16413299
2-{[2-(2-Pyridinylthio)ethyl]sulfonyl}-1,3-benzothiazole
CID 972882
Thiophene-2-sulfonic acid pyridin-3-ylamide
CID 651720

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (CID 110317951) is N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is O=S(=O)(NCc1nc(-c2ccccn2)cs1)c1ccccc1.
What is the InChIKey of N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is GPBSQRPRGAQMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c19-22(20,12-6-2-1-3-7-12)17-10-15-18-14(11-21-15)13-8-4-5-9-16-13/h1-9,11,17H,10H2.
What are the key properties of N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 331.42 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110317951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).