1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide

C14H15ClN2O2S — CID 95968872

IUPAC1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C14H15ClN2O2S/c1-11(14-4-2-3-9-16-14)17-20(18,19)10-12-5-7-13(15)8-6-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1
InChIKeyFFALFNQBJWRDAO-NSHDSACASA-N
MW310.81 g/mol
LogP2.92
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide

1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide (PubChem CID 95968872) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
PubChem CID95968872
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide
SMILESC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C14H15ClN2O2S/c1-11(14-4-2-3-9-16-14)17-20(18,19)10-12-5-7-13(15)8-6-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1
InChIKeyFFALFNQBJWRDAO-NSHDSACASA-N
XLogP2.92
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]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-[(1S)-1-pyridin-2-ylethyl]propane-1-sulfonamide
CID 78980226
3-chloro-2-methyl-N-(1-pyridin-2-ylethyl)propane-1-sulfonamide
CID 79580360
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
1-(3-chloro-4-fluorophenyl)-N-[(S)-phenyl(pyridin-2-yl)methyl]methanesulfonamide
CID 97014874
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293
1-(3,4-dichlorophenyl)-N-[phenyl(pyridin-2-yl)methyl]methanesulfonamide
CID 56581941
1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide
CID 2228868
2-[(1R)-1-(dimethylsulfamoylamino)ethyl]pyridine
CID 94063709
1-(4-chlorophenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202325
1-(4-chlorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]methanesulfonamide
CID 92646316
1-(4-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]propan-1-amine
CID 81401492
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]propan-1-amine
CID 79040070

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide (CID 95968872) is 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide is C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide?
The InChIKey is FFALFNQBJWRDAO-NSHDSACASA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-11(14-4-2-3-9-16-14)17-20(18,19)10-12-5-7-13(15)8-6-12/h2-9,11,17H,10H2,1H3/t11-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1S)-1-pyridin-2-ylethyl]methanesulfonamide is sourced from PubChem (CID 95968872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).