2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide

C14H10N4O2S — CID 106595245

IUPAC2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide
SMILESCN(c1ccccc1C#N)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C14H10N4O2S/c1-18(13-6-3-2-5-11(13)9-15)21(19,20)14-7-4-8-17-12(14)10-16/h2-8H,1H3
InChIKeyLSHKJCBXPXRBHI-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.65
Rot. Bonds3

About 2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide

2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide (PubChem CID 106595245) has the molecular formula C14H10N4O2S and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide
PubChem CID106595245
Molecular FormulaC14H10N4O2S
Molecular Weight298.33 g/mol
Exact Mass298.05
IUPAC Name2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide
SMILESCN(c1ccccc1C#N)S(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C14H10N4O2S/c1-18(13-6-3-2-5-11(13)9-15)21(19,20)14-7-4-8-17-12(14)10-16/h2-8H,1H3
InChIKeyLSHKJCBXPXRBHI-UHFFFAOYSA-N
XLogP1.65
TPSA97.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(2-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 106595893
N-(4-aminophenyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106593160
2-cyano-N-methoxy-N-methylpyridine-3-sulfonamide
CID 106545270
2-cyano-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 106545449
2-cyano-N-methyl-N-pentan-3-ylpyridine-3-sulfonamide
CID 106545415
2-cyano-N-methyl-N-prop-2-enylpyridine-3-sulfonamide
CID 106546805
2-cyano-N-methyl-N-(4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 106545418
2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115
N-(3-amino-4-pyridinyl)-2-cyano-N-methylbenzenesulfonamide
CID 61359217
N-[(3-bromophenyl)methyl]-2-cyano-N-methylpyridine-3-sulfonamide
CID 106545670
2-cyano-N-methyl-N-phenylbenzenesulfonamide
CID 24701852
2-cyano-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-sulfonamide
CID 100632666

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide (CID 106595245) is 2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide is CN(c1ccccc1C#N)S(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide?
The InChIKey is LSHKJCBXPXRBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2S/c1-18(13-6-3-2-5-11(13)9-15)21(19,20)14-7-4-8-17-12(14)10-16/h2-8H,1H3.
What are the key properties of 2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide?
2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide has a molecular weight of 298.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-cyanophenyl)-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 106595245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).