5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide

C15H15N3O2S — CID 115749656

IUPAC5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cc(C#N)ccc2C)c1
InChIInChI=1S/C15H15N3O2S/c1-10-6-12(3)17-15(7-10)18-21(19,20)14-8-13(9-16)5-4-11(14)2/h4-8H,1-3H3,(H,17,18)
InChIKeyUJDZRBSGEDTYRE-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.68
Rot. Bonds3

About 5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide

5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide (PubChem CID 115749656) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide
PubChem CID115749656
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cc(C#N)ccc2C)c1
InChIInChI=1S/C15H15N3O2S/c1-10-6-12(3)17-15(7-10)18-21(19,20)14-8-13(9-16)5-4-11(14)2/h4-8H,1-3H3,(H,17,18)
InChIKeyUJDZRBSGEDTYRE-UHFFFAOYSA-N
XLogP2.68
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)benzenesulfonamide
CID 71579772
5-cyano-2-methyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 103739261
5-cyano-2-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114912630
5-cyano-N-(4-formylphenyl)-2-methylbenzenesulfonamide
CID 106912855
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide
CID 4992211
5-cyano-2-methyl-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 167769145
N-(3-cyanophenyl)-2,5-dimethylbenzenesulfonamide
CID 2098329
4-(4-cyanophenyl)-N-(4,6-dimethyl-2-pyridinyl)piperidine-1-sulfonamide
CID 154339753
5-cyano-N-ethoxy-2-methylbenzenesulfonamide
CID 64973950
5-cyano-N-(3,3-dimethylbutyl)-2-methylbenzenesulfonamide
CID 115628616
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646
2-chloro-5-cyano-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 80704923

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide (CID 115749656) is 5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2cc(C#N)ccc2C)c1.
What is the InChIKey of 5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide?
The InChIKey is UJDZRBSGEDTYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-6-12(3)17-15(7-10)18-21(19,20)14-8-13(9-16)5-4-11(14)2/h4-8H,1-3H3,(H,17,18).
What are the key properties of 5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide?
5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(4,6-dimethyl-2-pyridinyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 115749656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).