N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide

C14H13N3O2S — CID 62354753

IUPACN-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)cc1C
InChIInChI=1S/C14H13N3O2S/c1-10-3-5-13(7-11(10)2)20(18,19)17-14-6-4-12(8-15)9-16-14/h3-7,9H,1-2H3,(H,16,17)
InChIKeyVZCWSTHEDWMPCM-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.37
Rot. Bonds3

About N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide

N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide (PubChem CID 62354753) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
PubChem CID62354753
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)cc1C
InChIInChI=1S/C14H13N3O2S/c1-10-3-5-13(7-11(10)2)20(18,19)17-14-6-4-12(8-15)9-16-14/h3-7,9H,1-2H3,(H,16,17)
InChIKeyVZCWSTHEDWMPCM-UHFFFAOYSA-N
XLogP2.37
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 26969626
6-cyano-N-(5-cyano-2-pyridinyl)pyridine-3-sulfonamide
CID 115662563
4-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113037337
N-(5-amino-2-pyridinyl)-4-cyano-3-methylbenzenesulfonamide
CID 106918913
3-[(5-cyano-2-pyridinyl)sulfamoyl]benzoic acid
CID 62353939
5-cyano-N-(5-cyano-2-pyridinyl)thiophene-2-sulfonamide
CID 106266766
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
N-(2-chloro-4-cyanophenyl)-3,4-dimethylbenzenesulfonamide
CID 103791853
N-(5-cyano-2-pyridinyl)-2-methylpropane-2-sulfonamide
CID 63687678
2,5-dichloro-N-(5-cyano-2-pyridinyl)thiophene-3-sulfonamide
CID 62355556
2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 80704923
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide (CID 62354753) is N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)cc1C.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is VZCWSTHEDWMPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-10-3-5-13(7-11(10)2)20(18,19)17-14-6-4-12(8-15)9-16-14/h3-7,9H,1-2H3,(H,16,17).
What are the key properties of N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide?
N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 62354753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).