5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide

C14H13N3O2S — CID 106935750

IUPAC5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)N(C)c1ccncc1
InChIInChI=1S/C14H13N3O2S/c1-11-3-4-12(10-15)9-14(11)20(18,19)17(2)13-5-7-16-8-6-13/h3-9H,1-2H3
InChIKeyCNMKOEPEWZOLPX-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.09
Rot. Bonds3

About 5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide

5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 106935750) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID106935750
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCc1ccc(C#N)cc1S(=O)(=O)N(C)c1ccncc1
InChIInChI=1S/C14H13N3O2S/c1-11-3-4-12(10-15)9-14(11)20(18,19)17(2)13-5-7-16-8-6-13/h3-9H,1-2H3
InChIKeyCNMKOEPEWZOLPX-UHFFFAOYSA-N
XLogP2.09
TPSA74.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106937622
N-(2-bromoethyl)-5-cyano-N,2-dimethylbenzenesulfonamide
CID 106441867
N-(4-aminocyclohexyl)-5-cyano-N,2-dimethylbenzenesulfonamide
CID 79113445
2,5-dibromo-N,4-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 106936845
4-cyano-N,N,2-trimethylbenzenesulfonamide
CID 103688766
5-cyano-N-(2-ethoxyethyl)-N,2-dimethylbenzenesulfonamide
CID 81056476
3-amino-N-(4-cyanophenyl)-N,4-dimethylbenzenesulfonamide
CID 62982630
3-[methyl(pyridin-4-yl)amino]benzonitrile
CID 62983134
3-cyano-N-(4-cyanophenyl)-N-methylbenzenesulfonamide
CID 62982247
3-methyl-4-[methyl(pyridin-4-yl)sulfamoyl]benzenecarbothioamide
CID 106998658
N-(4-cyanophenyl)-2,4-difluoro-N-methylbenzenesulfonamide
CID 62983286
4-hydrazinyl-N-methyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 106936229

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide (CID 106935750) is 5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide is Cc1ccc(C#N)cc1S(=O)(=O)N(C)c1ccncc1.
What is the InChIKey of 5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is CNMKOEPEWZOLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-11-3-4-12(10-15)9-14(11)20(18,19)17(2)13-5-7-16-8-6-13/h3-9H,1-2H3.
What are the key properties of 5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide?
5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N,2-dimethyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 106935750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).