6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide

C15H14F2N4O2S — CID 133381584

IUPAC6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
SMILESCN(CCC#N)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C15H14F2N4O2S/c1-21(6-2-5-18)15-4-3-14(10-19-15)24(22,23)20-13-8-11(16)7-12(17)9-13/h3-4,7-10,20H,2,6H2,1H3
InChIKeyJCWVBHDYLDQUNL-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.51
Rot. Bonds6

About 6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide

6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide (PubChem CID 133381584) has the molecular formula C15H14F2N4O2S and a molecular weight of 352.37 g/mol. Its IUPAC name is 6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
PubChem CID133381584
Molecular FormulaC15H14F2N4O2S
Molecular Weight352.37 g/mol
Exact Mass352.08
IUPAC Name6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
SMILESCN(CCC#N)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C15H14F2N4O2S/c1-21(6-2-5-18)15-4-3-14(10-19-15)24(22,23)20-13-8-11(16)7-12(17)9-13/h3-4,7-10,20H,2,6H2,1H3
InChIKeyJCWVBHDYLDQUNL-UHFFFAOYSA-N
XLogP2.51
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133290962
2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
CID 133351800
N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133351839
2-chloro-N-(3,5-difluorophenyl)pyrimidine-5-sulfonamide
CID 43456351
N-(3,5-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60822038
N-[2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]amino]ethyl]acetamide
CID 133352522
N-(3,5-difluorophenyl)-6-[(1-methyltriazol-4-yl)methylamino]pyridine-3-sulfonamide
CID 166208303
4-tert-butyl-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzenesulfonamide
CID 113015435
2-chloro-4-fluoro-N-[[6-[methyl(propyl)amino]-3-pyridinyl]sulfonyl]benzamide
CID 25001370
6-[2-chloroethyl(methyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341349
6-cyano-N-(3,5-dimethylphenyl)pyridine-3-sulfonamide
CID 115602138
N-(3-amino-5-fluorophenyl)-4-(cyanomethyl)benzenesulfonamide
CID 107334284

Frequently Asked Questions

What is the IUPAC name of 6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide (CID 133381584) is 6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide is CN(CCC#N)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
The InChIKey is JCWVBHDYLDQUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2S/c1-21(6-2-5-18)15-4-3-14(10-19-15)24(22,23)20-13-8-11(16)7-12(17)9-13/h3-4,7-10,20H,2,6H2,1H3.
What are the key properties of 6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide has a molecular weight of 352.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 133381584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).