N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide

C14H14N4O2S — CID 114612849

IUPACN-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ccc(N)cc1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C14H14N4O2S/c1-18(10-11-2-4-12(16)5-3-11)21(19,20)14-7-6-13(8-15)17-9-14/h2-7,9H,10,16H2,1H3
InChIKeyHOJUBIJXVOPOQX-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.36
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide

N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide (PubChem CID 114612849) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
PubChem CID114612849
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide
SMILESCN(Cc1ccc(N)cc1)S(=O)(=O)c1ccc(C#N)nc1
InChIInChI=1S/C14H14N4O2S/c1-18(10-11-2-4-12(16)5-3-11)21(19,20)14-7-6-13(8-15)17-9-14/h2-7,9H,10,16H2,1H3
InChIKeyHOJUBIJXVOPOQX-UHFFFAOYSA-N
XLogP1.36
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-cyano-N-(furan-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 115602451
6-cyano-N-(2,2-dimethylpropyl)-N-methylpyridine-3-sulfonamide
CID 115605813
6-cyano-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-3-sulfonamide
CID 114613874
N-(3-amino-2,2-dimethylpropyl)-6-cyano-N-methylpyridine-3-sulfonamide
CID 115752573
6-cyano-N-methyl-N-(naphthalen-1-ylmethyl)pyridine-3-sulfonamide
CID 166403283
6-amino-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 62158613
6-cyano-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-sulfonamide
CID 115690499
3-[(6-cyano-3-pyridinyl)sulfonyl-methylamino]propanoic acid
CID 115776606
6-cyano-N-(3-hydroxybutyl)-N-methylpyridine-3-sulfonamide
CID 113320170
6-cyano-N-(cyclobutylmethyl)-N-methylpyridine-3-sulfonamide
CID 115621452
5-[(4-aminophenyl)methyl-ethylamino]pyridine-2-carbonitrile
CID 115490478
N-[(4-bromophenyl)methyl]-6-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61415653

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide (CID 114612849) is N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide is CN(Cc1ccc(N)cc1)S(=O)(=O)c1ccc(C#N)nc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide?
The InChIKey is HOJUBIJXVOPOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-18(10-11-2-4-12(16)5-3-11)21(19,20)14-7-6-13(8-15)17-9-14/h2-7,9H,10,16H2,1H3.
What are the key properties of N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide?
N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-6-cyano-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 114612849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).