N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide

C15H13ClF4N2O3S — CID 172614479

IUPACN-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCN([C@H](c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1cc(F)c(=O)n(C)c1
InChIInChI=1S/C15H13ClF4N2O3S/c1-21-8-11(7-12(17)14(21)23)26(24,25)22(2)13(15(18,19)20)9-3-5-10(16)6-4-9/h3-8,13H,1-2H3/t13-/m1/s1
InChIKeyHAUOPIPQCQVVNC-CYBMUJFWSA-N
MW412.79 g/mol
LogP3.10
Rot. Bonds4

About N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide

N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide (PubChem CID 172614479) has the molecular formula C15H13ClF4N2O3S and a molecular weight of 412.79 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide
PubChem CID172614479
Molecular FormulaC15H13ClF4N2O3S
Molecular Weight412.79 g/mol
Exact Mass412.03
IUPAC NameN-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide
SMILESCN([C@H](c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1cc(F)c(=O)n(C)c1
InChIInChI=1S/C15H13ClF4N2O3S/c1-21-8-11(7-12(17)14(21)23)26(24,25)22(2)13(15(18,19)20)9-3-5-10(16)6-4-9/h3-8,13H,1-2H3/t13-/m1/s1
InChIKeyHAUOPIPQCQVVNC-CYBMUJFWSA-N
XLogP3.10
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.79
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide 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 N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide (CID 172614479) is N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide is CN([C@H](c1ccc(Cl)cc1)C(F)(F)F)S(=O)(=O)c1cc(F)c(=O)n(C)c1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide?
The InChIKey is HAUOPIPQCQVVNC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H13ClF4N2O3S/c1-21-8-11(7-12(17)14(21)23)26(24,25)22(2)13(15(18,19)20)9-3-5-10(16)6-4-9/h3-8,13H,1-2H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide?
N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide has a molecular weight of 412.79 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)-2,2,2-trifluoroethyl]-5-fluoro-N,1-dimethyl-6-oxopyridine-3-sulfonamide is sourced from PubChem (CID 172614479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).