6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide

C12H10N4O2S — CID 115619546

IUPAC6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide
SMILESCc1cccnc1NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H10N4O2S/c1-9-3-2-6-14-12(9)16-19(17,18)11-5-4-10(7-13)15-8-11/h2-6,8H,1H3,(H,14,16)
InChIKeyPCVMDVFDPPVEMQ-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.46
Rot. Bonds3

About 6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide

6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide (PubChem CID 115619546) has the molecular formula C12H10N4O2S and a molecular weight of 274.31 g/mol. Its IUPAC name is 6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide
PubChem CID115619546
Molecular FormulaC12H10N4O2S
Molecular Weight274.31 g/mol
Exact Mass274.05
IUPAC Name6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide
SMILESCc1cccnc1NS(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C12H10N4O2S/c1-9-3-2-6-14-12(9)16-19(17,18)11-5-4-10(7-13)15-8-11/h2-6,8H,1H3,(H,14,16)
InChIKeyPCVMDVFDPPVEMQ-UHFFFAOYSA-N
XLogP1.46
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyano-N-(2,4,6-trimethylphenyl)pyridine-3-sulfonamide
CID 115602102
4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 3792615
5-[(3-methyl-2-pyridinyl)sulfamoyl]pyridine-2-carbothioamide
CID 114614077
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
6-cyano-N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 115602469
6-cyano-N-(4,6-dimethylpyrimidin-2-yl)pyridine-3-sulfonamide
CID 104599450
6-cyano-N-(3-fluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 115602143
4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19423365
6-cyano-N-(4-iodophenyl)pyridine-3-sulfonamide
CID 115602123
4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 43095409
4-(ethylaminomethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 60822489
4-cyano-N-(3-hydroxy-2-pyridinyl)-3-methylbenzenesulfonamide
CID 106920464

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide?
The IUPAC name of 6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide (CID 115619546) is 6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide is Cc1cccnc1NS(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of 6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide?
The InChIKey is PCVMDVFDPPVEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2S/c1-9-3-2-6-14-12(9)16-19(17,18)11-5-4-10(7-13)15-8-11/h2-6,8H,1H3,(H,14,16).
What are the key properties of 6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide?
6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide has a molecular weight of 274.31 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-(3-methyl-2-pyridinyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115619546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).