4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C14H13N3O2S — CID 3583133

IUPAC4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cccnc1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H13N3O2S/c1-17(11-13-3-2-8-16-10-13)20(18,19)14-6-4-12(9-15)5-7-14/h2-8,10H,11H2,1H3
InChIKeyDRAMVLQJPNCKQH-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.77
Rot. Bonds4

About 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 3583133) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID3583133
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cccnc1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C14H13N3O2S/c1-17(11-13-3-2-8-16-10-13)20(18,19)14-6-4-12(9-15)5-7-14/h2-8,10H,11H2,1H3
InChIKeyDRAMVLQJPNCKQH-UHFFFAOYSA-N
XLogP1.77
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
4-bromo-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 103697191
4-cyano-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 24679084
4-cyano-N-[(4-isocyanophenyl)methyl]-N-methylbenzenesulfonamide
CID 21029598
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
N-benzyl-4-[4-cyano-5-(pyridin-3-ylmethylamino)-1,3-oxazol-2-yl]-N-methylbenzenesulfonamide
CID 16646652
N-(2-cyanoethyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4825697
N-ethyl-N-[methyl(pyridin-3-ylmethyl)sulfamoyl]ethanamine
CID 86916823
N-methyl-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 47121805
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86922552
N,2-dimethyl-4-nitro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86984238
3-(3-acetylphenyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 171387338

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 3583133) is 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is CN(Cc1cccnc1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is DRAMVLQJPNCKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-17(11-13-3-2-8-16-10-13)20(18,19)14-6-4-12(9-15)5-7-14/h2-8,10H,11H2,1H3.
What are the key properties of 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3583133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).