2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide

C15H15ClN2O3S — CID 51257751

IUPAC2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(Cl)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H15ClN2O3S/c1-10(11-3-5-13(6-4-11)22(2,20)21)18-15(19)12-7-8-17-14(16)9-12/h3-10H,1-2H3,(H,18,19)
InChIKeyHSZAQLSZXIWCHL-UHFFFAOYSA-N
MW338.82 g/mol
LogP2.63
Rot. Bonds4

About 2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide

2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 51257751) has the molecular formula C15H15ClN2O3S and a molecular weight of 338.82 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide
PubChem CID51257751
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.82 g/mol
Exact Mass338.05
IUPAC Name2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccnc(Cl)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H15ClN2O3S/c1-10(11-3-5-13(6-4-11)22(2,20)21)18-15(19)12-7-8-17-14(16)9-12/h3-10H,1-2H3,(H,18,19)
InChIKeyHSZAQLSZXIWCHL-UHFFFAOYSA-N
XLogP2.63
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.82
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26958285
N-[1-(4-chlorophenyl)ethyl]-2-fluoropyridine-4-carboxamide
CID 61293078
2-chloro-N-(1-hydroxypropan-2-yl)pyridine-4-carboxamide
CID 60747484
2-chloro-5-methylsulfanyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 51247083
3,4,5,6-tetrachloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 26468278
N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide
CID 18096179
4-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-nitrobenzamide
CID 26468357
5-chloro-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]thiophene-2-carboxamide
CID 26957732
ethyl 2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 47368209
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106
2-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]pyridine-4-carboxamide
CID 47443000
tert-butyl (2S)-2-[(2-chloropyridine-4-carbonyl)amino]propanoate
CID 103822368

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide (CID 51257751) is 2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccnc(Cl)c1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is HSZAQLSZXIWCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S/c1-10(11-3-5-13(6-4-11)22(2,20)21)18-15(19)12-7-8-17-14(16)9-12/h3-10H,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide?
2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 338.82 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 51257751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).