2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen

C19H17N3O2S — CID 142506802

IUPAC2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen
SMILESN#Cc1ccccc1S(=O)(=O)NC(c1ccccc1)c1ccccn1.[H][H]
InChIInChI=1S/C19H15N3O2S.H2/c20-14-16-10-4-5-12-18(16)25(23,24)22-19(15-8-2-1-3-9-15)17-11-6-7-13-21-17;/h1-13,19,22H;1H
InChIKeyIZCRCMAFWBKOEK-UHFFFAOYSA-N
MW351.43 g/mol
LogP3.27
Rot. Bonds5

About 2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen

2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen (PubChem CID 142506802) has the molecular formula C19H17N3O2S and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound Name2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen
PubChem CID142506802
Molecular FormulaC19H17N3O2S
Molecular Weight351.43 g/mol
Exact Mass351.10
IUPAC Name2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen
SMILESN#Cc1ccccc1S(=O)(=O)NC(c1ccccc1)c1ccccn1.[H][H]
InChIInChI=1S/C19H15N3O2S.H2/c20-14-16-10-4-5-12-18(16)25(23,24)22-19(15-8-2-1-3-9-15)17-11-6-7-13-21-17;/h1-13,19,22H;1H
InChIKeyIZCRCMAFWBKOEK-UHFFFAOYSA-N
XLogP3.27
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40973699
2-methoxy-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 51169894
2-[(S)-phenyl-(sulfamoylamino)methyl]pyridine
CID 95133440
2,3,4,5,6-pentamethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25327185
2-cyano-N-(2-methyl-1-phenylpropyl)benzenesulfonamide
CID 17464362
N-[(R)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 32945038
4-[(2R)-butan-2-yl]-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357202
5-methyl-N-[(S)-phenyl(pyridin-2-yl)methyl]thiophene-2-sulfonamide
CID 39794094
4-[(2S)-butan-2-yl]-N-[(S)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 25357201
3-acetyl-N-[(R)-phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 95145320
3,5-dimethyl-N-[(S)-phenyl(pyridin-2-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 92786137
5-chloro-1-methyl-N-[phenyl(pyridin-2-yl)methyl]imidazole-4-sulfonamide
CID 46595754

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen?
The IUPAC name of 2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen (CID 142506802) is 2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for 2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen?
The canonical SMILES for 2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen is N#Cc1ccccc1S(=O)(=O)NC(c1ccccc1)c1ccccn1.[H][H].
What is the InChIKey of 2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen?
The InChIKey is IZCRCMAFWBKOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S.H2/c20-14-16-10-4-5-12-18(16)25(23,24)22-19(15-8-2-1-3-9-15)17-11-6-7-13-21-17;/h1-13,19,22H;1H.
What are the key properties of 2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen?
2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen has a molecular weight of 351.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 142506802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).