6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide

C20H16F2N4O2S — CID 133290962

IUPAC6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
SMILESCN(Cc1ccc(C#N)cc1)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C20H16F2N4O2S/c1-26(13-15-4-2-14(11-23)3-5-15)20-7-6-19(12-24-20)29(27,28)25-18-9-16(21)8-17(22)10-18/h2-10,12,25H,13H2,1H3
InChIKeyUTGTWELJPSJPHK-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.67
Rot. Bonds6

About 6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide

6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide (PubChem CID 133290962) has the molecular formula C20H16F2N4O2S and a molecular weight of 414.44 g/mol. Its IUPAC name is 6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
PubChem CID133290962
Molecular FormulaC20H16F2N4O2S
Molecular Weight414.44 g/mol
Exact Mass414.10
IUPAC Name6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
SMILESCN(Cc1ccc(C#N)cc1)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1
InChIInChI=1S/C20H16F2N4O2S/c1-26(13-15-4-2-14(11-23)3-5-15)20-7-6-19(12-24-20)29(27,28)25-18-9-16(21)8-17(22)10-18/h2-10,12,25H,13H2,1H3
InChIKeyUTGTWELJPSJPHK-UHFFFAOYSA-N
XLogP3.67
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-cyanoethyl(methyl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133381584
2-[[5-[(3,5-difluorophenyl)sulfamoyl]-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
CID 133351800
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carbonitrile
CID 28799351
6-[(4-chloro-3-fluorophenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 133431107
6-[benzyl(methyl)amino]pyridine-3-carbonitrile
CID 24690148
N-(3,5-difluorophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 60822038
3-[[(5-fluoro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 62968970
5-[(4-cyanophenyl)methyl-methylamino]pyrazine-2-carbonitrile
CID 133290964
N-(3,5-difluorophenyl)-6-[(2-hydroxy-2-methylpropyl)amino]pyridine-3-sulfonamide
CID 133351839
6-[(4-ethoxyphenyl)methyl-methylamino]pyridine-3-carbonitrile
CID 47135740
N-(4-cyanophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144186
N-[[6-[(4-fluorophenyl)methyl-methylamino]-3-pyridinyl]sulfonyl]thiophene-3-carboxamide
CID 167811718

Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide (CID 133290962) is 6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide is CN(Cc1ccc(C#N)cc1)c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)cn1.
What is the InChIKey of 6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
The InChIKey is UTGTWELJPSJPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2S/c1-26(13-15-4-2-14(11-23)3-5-15)20-7-6-19(12-24-20)29(27,28)25-18-9-16(21)8-17(22)10-18/h2-10,12,25H,13H2,1H3.
What are the key properties of 6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide?
6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide has a molecular weight of 414.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyanophenyl)methyl-methylamino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 133290962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).