N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide

C11H12ClN3O2S2 — CID 122155298

IUPACN-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccn1)Cc1csc(Cl)n1
InChIInChI=1S/C11H12ClN3O2S2/c1-19(16,17)15(6-9-4-2-3-5-13-9)7-10-8-18-11(12)14-10/h2-5,8H,6-7H2,1H3
InChIKeyVDNJFNAACNMPEZ-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.15
Rot. Bonds5

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

N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide (PubChem CID 122155298) has the molecular formula C11H12ClN3O2S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
PubChem CID122155298
Molecular FormulaC11H12ClN3O2S2
Molecular Weight317.82 g/mol
Exact Mass317.01
IUPAC NameN-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccn1)Cc1csc(Cl)n1
InChIInChI=1S/C11H12ClN3O2S2/c1-19(16,17)15(6-9-4-2-3-5-13-9)7-10-8-18-11(12)14-10/h2-5,8H,6-7H2,1H3
InChIKeyVDNJFNAACNMPEZ-UHFFFAOYSA-N
XLogP2.15
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide 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

N-[(2-chloroquinolin-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 86818106
N-(2-methylpropyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 59341012
N-[[4-(hydroxymethyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 110005953
N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151514
N-tert-butyl-3-[methylsulfonyl(pyridin-2-ylmethyl)amino]propanamide
CID 113139783
2-methyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113067319
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-2-phenylacetamide
CID 113067268
3,5-dimethyl-N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,2-oxazole-4-sulfonamide
CID 113067318
2-chloro-N-propan-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 61044874
3-[2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486329
N-[2-[methylsulfonyl(pyridin-2-ylmethyl)amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113067280
N-benzyl-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151439

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
The IUPAC name of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide (CID 122155298) is N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide is CS(=O)(=O)N(Cc1ccccn1)Cc1csc(Cl)n1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
The InChIKey is VDNJFNAACNMPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S2/c1-19(16,17)15(6-9-4-2-3-5-13-9)7-10-8-18-11(12)14-10/h2-5,8H,6-7H2,1H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide?
N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide has a molecular weight of 317.82 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 122155298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).