6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide

C14H14N4O2S — CID 133346456

IUPAC6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccc(C#N)cc2)nc1
InChIInChI=1S/C14H14N4O2S/c1-16-21(19,20)13-6-7-14(18-10-13)17-9-12-4-2-11(8-15)3-5-12/h2-7,10,16H,9H2,1H3,(H,17,18)
InChIKeyKMXZQRVEOAVDMH-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.47
Rot. Bonds5

About 6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide

6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide (PubChem CID 133346456) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is 6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide
PubChem CID133346456
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC Name6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccc(C#N)cc2)nc1
InChIInChI=1S/C14H14N4O2S/c1-16-21(19,20)13-6-7-14(18-10-13)17-9-12-4-2-11(8-15)3-5-12/h2-7,10,16H,9H2,1H3,(H,17,18)
InChIKeyKMXZQRVEOAVDMH-UHFFFAOYSA-N
XLogP1.47
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(naphthalen-2-ylmethylamino)pyridine-3-sulfonamide
CID 133299071
N-methyl-6-[(4-morpholin-4-ylphenyl)methylamino]pyridine-3-sulfonamide
CID 133298461
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
N-(4-cyanophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62144186
6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304263
4-[(2-acetyl-5-cyanoanilino)methyl]-N-methylbenzenesulfonamide
CID 133455913
4-[(4-cyano-2,6-difluoroanilino)methyl]-N-methylbenzenesulfonamide
CID 51101942
6-[(2-bromophenyl)methylamino]-N-methylpyridine-3-sulfonamide
CID 133304167
N-[(4-cyanophenyl)methyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 62269124
4-[[(5-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 24705789
6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 133474689
N,N-dimethyl-6-(pyridin-4-ylmethylamino)pyridine-3-sulfonamide
CID 104999383

Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide?
The IUPAC name of 6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide (CID 133346456) is 6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide is CNS(=O)(=O)c1ccc(NCc2ccc(C#N)cc2)nc1.
What is the InChIKey of 6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide?
The InChIKey is KMXZQRVEOAVDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-16-21(19,20)13-6-7-14(18-10-13)17-9-12-4-2-11(8-15)3-5-12/h2-7,10,16H,9H2,1H3,(H,17,18).
What are the key properties of 6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide?
6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyanophenyl)methylamino]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 133346456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).