3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide

C13H16N4O2S — CID 43449150

IUPAC3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccncc2)c(N)c1
InChIInChI=1S/C13H16N4O2S/c1-15-20(18,19)11-2-3-13(12(14)8-11)17-9-10-4-6-16-7-5-10/h2-8,15,17H,9,14H2,1H3
InChIKeyPKZVDKRXABEMLM-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.18
Rot. Bonds5

About 3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide

3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide (PubChem CID 43449150) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide
PubChem CID43449150
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NCc2ccncc2)c(N)c1
InChIInChI=1S/C13H16N4O2S/c1-15-20(18,19)11-2-3-13(12(14)8-11)17-9-10-4-6-16-7-5-10/h2-8,15,17H,9,14H2,1H3
InChIKeyPKZVDKRXABEMLM-UHFFFAOYSA-N
XLogP1.18
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 106414398
3-amino-N-methyl-4-[(1-methylimidazol-2-yl)methylamino]benzenesulfonamide
CID 63293527
3-amino-N-methyl-4-(2-methylsulfonylethylamino)benzenesulfonamide
CID 54935258
3-amino-4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 106369348
3-amino-4-(tert-butylamino)-N-methylbenzenesulfonamide
CID 43449158
3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
CID 63821852
3-amino-N-methyl-4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]benzenesulfonamide
CID 79352658
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzenesulfonamide
CID 115358102
3-amino-4-bromo-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 115328707
4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43744201
3-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 60920158
3-amino-4-(benzylamino)-N-(2,6-difluorophenyl)benzenesulfonamide
CID 123971129

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide?
The IUPAC name of 3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide (CID 43449150) is 3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide is CNS(=O)(=O)c1ccc(NCc2ccncc2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide?
The InChIKey is PKZVDKRXABEMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-15-20(18,19)11-2-3-13(12(14)8-11)17-9-10-4-6-16-7-5-10/h2-8,15,17H,9,14H2,1H3.
What are the key properties of 3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide?
3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(pyridin-4-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 43449150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).