2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide

C16H13ClFN3O3S — CID 167926752

IUPAC2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(F)ccc1CS(=O)(=O)NC(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C16H13ClFN3O3S/c1-10-8-12(18)6-5-11(10)9-25(23,24)20-16(22)14-15(17)19-13-4-2-3-7-21(13)14/h2-8H,9H2,1H3,(H,20,22)
InChIKeyANWJRZOJGTYZFH-UHFFFAOYSA-N
MW381.82 g/mol
LogP2.70
Rot. Bonds4

About 2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide

2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 167926752) has the molecular formula C16H13ClFN3O3S and a molecular weight of 381.82 g/mol. Its IUPAC name is 2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID167926752
Molecular FormulaC16H13ClFN3O3S
Molecular Weight381.82 g/mol
Exact Mass381.04
IUPAC Name2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1cc(F)ccc1CS(=O)(=O)NC(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C16H13ClFN3O3S/c1-10-8-12(18)6-5-11(10)9-25(23,24)20-16(22)14-15(17)19-13-4-2-3-7-21(13)14/h2-8H,9H2,1H3,(H,20,22)
InChIKeyANWJRZOJGTYZFH-UHFFFAOYSA-N
XLogP2.70
TPSA80.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide 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

1-ethyl-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2,5-dimethylpyrrole-3-carboxamide
CID 167902948
N-[(4-fluoro-2-methylphenyl)methylsulfonyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 167785118
N-methyl-1-(2-methylimidazo[1,2-a]pyridin-3-yl)methanesulfonamide
CID 165446492
N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide
CID 76877969
(E)-N-(2-chloroimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4-fluorophenyl)prop-2-enamide
CID 60602884
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
3-[2-[(2-chloroimidazo[1,2-a]pyridine-3-carbonyl)amino]ethyl]benzoic acid
CID 99781385
N-(2-chloro-4-fluorophenyl)-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036593
N-[4-(2,4-difluorophenoxy)but-2-ynyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90577798
2-chloro-N-[(4-hydroxythian-4-yl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 111484909
2-chloro-N-[2-(furan-2-yl)-2-hydroxyethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 78897228
N'-[2-(4-bromophenoxy)acetyl]-2-chloroimidazo[1,2-a]pyridine-3-carbohydrazide
CID 78887272

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 167926752) is 2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1cc(F)ccc1CS(=O)(=O)NC(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ANWJRZOJGTYZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O3S/c1-10-8-12(18)6-5-11(10)9-25(23,24)20-16(22)14-15(17)19-13-4-2-3-7-21(13)14/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide?
2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 381.82 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-fluoro-2-methylphenyl)methylsulfonyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 167926752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).