N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide

C19H15N3O2S — CID 4825964

IUPACN-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide
SMILESN#Cc1ccc(CN(c2ccncc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H15N3O2S/c20-14-16-6-8-17(9-7-16)15-22(18-10-12-21-13-11-18)25(23,24)19-4-2-1-3-5-19/h1-13H,15H2
InChIKeyRRGJHMKPFZHLRO-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.35
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide

N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 4825964) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide
PubChem CID4825964
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide
SMILESN#Cc1ccc(CN(c2ccncc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H15N3O2S/c20-14-16-6-8-17(9-7-16)15-22(18-10-12-21-13-11-18)25(23,24)19-4-2-1-3-5-19/h1-13H,15H2
InChIKeyRRGJHMKPFZHLRO-UHFFFAOYSA-N
XLogP3.35
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(benzenesulfonyl)-N-[(4-cyanophenyl)methyl]benzenesulfonamide
CID 135065156
N-benzyl-4-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 132502971
N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360446
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470
N-(4-bromophenyl)-4-cyano-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 47063208
N-benzyl-4-cyano-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide
CID 72736359
tert-butyl N-(benzenesulfonyl)-N-[(4-cyanophenyl)methyl]carbamate
CID 150196264
N-(4-cyanophenyl)-N-[(4-methylphenyl)methyl]methanesulfonamide
CID 60522601
N-benzyl-4-cyano-N-propylbenzenesulfonamide
CID 30328624
N-benzyl-2-methyl-N-pyridin-4-yl-1,3-thiazole-5-sulfonamide
CID 75388898
4-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]benzoic acid
CID 67529306
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 3583133

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide (CID 4825964) is N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide is N#Cc1ccc(CN(c2ccncc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is RRGJHMKPFZHLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c20-14-16-6-8-17(9-7-16)15-22(18-10-12-21-13-11-18)25(23,24)19-4-2-1-3-5-19/h1-13H,15H2.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide?
N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 349.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 4825964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).