4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide

C18H13N3O2S — CID 71579869

IUPAC4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C18H13N3O2S/c19-13-14-4-6-15(7-5-14)16-8-10-17(11-9-16)24(22,23)21-18-3-1-2-12-20-18/h1-12H,(H,20,21)
InChIKeyDEJLPRSKSNGMCR-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.42
Rot. Bonds4

About 4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide

4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 71579869) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide
PubChem CID71579869
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Name4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide
SMILESN#Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1
InChIInChI=1S/C18H13N3O2S/c19-13-14-4-6-15(7-5-14)16-8-10-17(11-9-16)24(22,23)21-18-3-1-2-12-20-18/h1-12H,(H,20,21)
InChIKeyDEJLPRSKSNGMCR-UHFFFAOYSA-N
XLogP3.42
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

PF-915275
CID 23725123
N-(Pyridin-2-yl) arylsulfonamide, 22
CID 44143311
2-[4-(4-Methylbenzenesulfonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 16267445
Biphenyl-4-sulfonic acid (6-methyl-pyridin-2-yl)-amide
CID 4982676
N-(Pyridin-2-yl) arylsulfonamide, 28
CID 12002968
1-Guanidino-7-sulphamoylisoquinoline
CID 16658352
1-Guanidino-7-phenylsulphamoylisoquinoline
CID 16658631
N-(Pyridin-2-yl) arylsulfonamide, 21
CID 44143310
N-(Pyridin-2-yl) arylsulfonamide, 23
CID 44143312
N-(Pyridin-2-yl) arylsulfonamide, 24
CID 44143313
N-(Pyridin-2-yl) arylsulfonamide, 25
CID 44143314
Arylsulfonylpiperazine, 16
CID 44237021

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide (CID 71579869) is 4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide is N#Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1.
What is the InChIKey of 4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is DEJLPRSKSNGMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c19-13-14-4-6-15(7-5-14)16-8-10-17(11-9-16)24(22,23)21-18-3-1-2-12-20-18/h1-12H,(H,20,21).
What are the key properties of 4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide?
4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 335.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 71579869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).