2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

C16H13ClF4N2O3S — CID 67043617

IUPAC2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C16H13ClF4N2O3S/c1-15(2,27(25,26)11-7-6-9(17)8-10(11)18)14(24)23-13-5-3-4-12(22-13)16(19,20)21/h3-8H,1-2H3,(H,22,23,24)
InChIKeyKVPJXKVLTMWUSP-UHFFFAOYSA-N
MW424.80 g/mol
LogP4.08
Rot. Bonds4

About 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide

2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 67043617) has the molecular formula C16H13ClF4N2O3S and a molecular weight of 424.80 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID67043617
Molecular FormulaC16H13ClF4N2O3S
Molecular Weight424.80 g/mol
Exact Mass424.03
IUPAC Name2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C16H13ClF4N2O3S/c1-15(2,27(25,26)11-7-6-9(17)8-10(11)18)14(24)23-13-5-3-4-12(22-13)16(19,20)21/h3-8H,1-2H3,(H,22,23,24)
InChIKeyKVPJXKVLTMWUSP-UHFFFAOYSA-N
XLogP4.08
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.80
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide 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

3-(benzenesulfonyl)-N-(6-methylpyridin-2-yl)propanamide
CID 3163455
N~2~-[(4-chlorophenyl)sulfonyl]-N~2~-methyl-N~1~-(6-methyl-2-pyridinyl)glycinamide
CID 1301009
1-[(4-chlorophenyl)sulfonyl]-N-(6-methyl-2-pyridinyl)-4-piperidinecarboxamide
CID 6473361
1-(4-chlorophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 122174771
2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-quinolin-2-ylpropanamide
CID 24855718
2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-(5-methyl-2-pyridinyl)propanamide
CID 24855720
2-(2,4-difluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 24855792
2-(4-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 24855837
2-(6-chloropyridin-3-yl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 24855874
2-(4-bromophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 24856003
2-(3-fluoro-4-methylphenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)pyridin-2-yl]propanamide
CID 24856035
3-methyl-2-[4-(trifluoromethyl)phenyl]sulfonyl-N-[6-(trifluoromethyl)pyridin-2-yl]butanamide
CID 24856038

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide (CID 67043617) is 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is CC(C)(C(=O)Nc1cccc(C(F)(F)F)n1)S(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is KVPJXKVLTMWUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF4N2O3S/c1-15(2,27(25,26)11-7-6-9(17)8-10(11)18)14(24)23-13-5-3-4-12(22-13)16(19,20)21/h3-8H,1-2H3,(H,22,23,24).
What are the key properties of 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide?
2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 424.80 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)sulfonyl-2-methyl-N-[6-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 67043617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).