4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide

C15H15N3O2S — CID 114700456

IUPAC4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cnccc1CNS(=O)(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C15H15N3O2S/c1-12-10-17-9-7-14(12)11-18-21(19,20)15-4-2-13(3-5-15)6-8-16/h2-5,7,9-10,18H,6,11H2,1H3
InChIKeyZSLYXTULVVXTII-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.93
Rot. Bonds5

About 4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide

4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 114700456) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID114700456
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cnccc1CNS(=O)(=O)c1ccc(CC#N)cc1
InChIInChI=1S/C15H15N3O2S/c1-12-10-17-9-7-14(12)11-18-21(19,20)15-4-2-13(3-5-15)6-8-16/h2-5,7,9-10,18H,6,11H2,1H3
InChIKeyZSLYXTULVVXTII-UHFFFAOYSA-N
XLogP1.93
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloroethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701663
4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701636
3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106083517
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
CID 114701597
3-bromo-4-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106546814
4-(2-aminoethyl)-N-[(4-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 114955251
4-(cyanomethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 79186636
3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114699441
4-(2,4-dichlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 58108469
6-cyano-N-[(4-methyl-3-pyridinyl)methyl]pyridine-3-sulfonamide
CID 114956180
4-(cyanomethyl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 103883887
4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698288

Frequently Asked Questions

What is the IUPAC name of 4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide (CID 114700456) is 4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide is Cc1cnccc1CNS(=O)(=O)c1ccc(CC#N)cc1.
What is the InChIKey of 4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is ZSLYXTULVVXTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-12-10-17-9-7-14(12)11-18-21(19,20)15-4-2-13(3-5-15)6-8-16/h2-5,7,9-10,18H,6,11H2,1H3.
What are the key properties of 4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 114700456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).