N-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide

C14H14N4O2S — CID 122374418

IUPACN-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide
SMILESN#CC(N)C(NS(=O)(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C14H14N4O2S/c15-10-12(16)14(11-6-2-1-3-7-11)18-21(19,20)13-8-4-5-9-17-13/h1-9,12,14,18H,16H2
InChIKeyBAFHHDACXUNIKN-UHFFFAOYSA-N
MW302.36 g/mol
LogP0.95
Rot. Bonds5

About N-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide

N-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide (PubChem CID 122374418) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide
PubChem CID122374418
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide
SMILESN#CC(N)C(NS(=O)(=O)c1ccccn1)c1ccccc1
InChIInChI=1S/C14H14N4O2S/c15-10-12(16)14(11-6-2-1-3-7-11)18-21(19,20)13-8-4-5-9-17-13/h1-9,12,14,18H,16H2
InChIKeyBAFHHDACXUNIKN-UHFFFAOYSA-N
XLogP0.95
TPSA108.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-2-pyridin-2-ylsulfonylacetonitrile
CID 25186357
N-(2,2-diphenylethyl)pyridine-2-sulfonamide
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CID 122069786
N-[(1R)-1-phenylpentyl]pyridine-2-sulfonamide
CID 101377427
N-[(1-methylindol-3-yl)-phenylmethyl]pyridine-2-sulfonamide
CID 86230475
N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-2-sulfonamide
CID 101377414
1-N,3-N-bis[(1R,2R)-2-amino-1,2-diphenylethyl]benzene-1,3-disulfonamide
CID 122371745
N-[2-(pyridin-2-ylsulfonylamino)phenyl]pyridine-2-sulfonamide
CID 132544567
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
pyridin-2-ylsulfonylthiourea
CID 19808514
2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen
CID 142506802
CID 175476137
CID 175476137

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide?
The IUPAC name of N-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide (CID 122374418) is N-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide is N#CC(N)C(NS(=O)(=O)c1ccccn1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide?
The InChIKey is BAFHHDACXUNIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c15-10-12(16)14(11-6-2-1-3-7-11)18-21(19,20)13-8-4-5-9-17-13/h1-9,12,14,18H,16H2.
What are the key properties of N-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide?
N-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-cyano-1-phenylethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 122374418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).