2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide

C14H13N3O2S — CID 40973699

IUPAC2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C#N)c1ccccn1
InChIInChI=1S/C14H13N3O2S/c1-11(13-7-4-5-9-16-13)17-20(18,19)14-8-3-2-6-12(14)10-15/h2-9,11,17H,1H3/t11-/m0/s1
InChIKeyRITCWNAGUUXYDE-NSHDSACASA-N
MW287.34 g/mol
LogP1.99
Rot. Bonds4

About 2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide

2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide (PubChem CID 40973699) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
PubChem CID40973699
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1C#N)c1ccccn1
InChIInChI=1S/C14H13N3O2S/c1-11(13-7-4-5-9-16-13)17-20(18,19)14-8-3-2-6-12(14)10-15/h2-9,11,17H,1H3/t11-/m0/s1
InChIKeyRITCWNAGUUXYDE-NSHDSACASA-N
XLogP1.99
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen
CID 142506802
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
2-chloro-4-cyano-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 103988860
2-(ethylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-sulfonamide
CID 62145879
2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41083773
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide
CID 17464362
4-methyl-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40664770
N-[(1S)-1-pyridin-2-ylethyl]naphthalene-2-sulfonamide
CID 2459314
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 17410002
3,5-difluoro-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41084343
2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 93034581

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide?
The IUPAC name of 2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide (CID 40973699) is 2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide?
The canonical SMILES for 2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccccc1C#N)c1ccccn1.
What is the InChIKey of 2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide?
The InChIKey is RITCWNAGUUXYDE-NSHDSACASA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-11(13-7-4-5-9-16-13)17-20(18,19)14-8-3-2-6-12(14)10-15/h2-9,11,17H,1H3/t11-/m0/s1.
What are the key properties of 2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide?
2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide is sourced from PubChem (CID 40973699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).