4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide

C13H16N4O2S — CID 82907539

IUPAC4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide
SMILESCN(Cc1ccncc1)c1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C13H16N4O2S/c1-17(9-10-4-6-16-7-5-10)13-8-11(20(15,18)19)2-3-12(13)14/h2-8H,9,14H2,1H3,(H2,15,18,19)
InChIKeyBNTNVGQZOIRGOV-UHFFFAOYSA-N
MW292.36 g/mol
LogP0.95
Rot. Bonds4

About 4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide

4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide (PubChem CID 82907539) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is 4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide
PubChem CID82907539
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC Name4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide
SMILESCN(Cc1ccncc1)c1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C13H16N4O2S/c1-17(9-10-4-6-16-7-5-10)13-8-11(20(15,18)19)2-3-12(13)14/h2-8H,9,14H2,1H3,(H2,15,18,19)
InChIKeyBNTNVGQZOIRGOV-UHFFFAOYSA-N
XLogP0.95
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide (CID 82907539) is 4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide is CN(Cc1ccncc1)c1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide?
The InChIKey is BNTNVGQZOIRGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-17(9-10-4-6-16-7-5-10)13-8-11(20(15,18)19)2-3-12(13)14/h2-8H,9,14H2,1H3,(H2,15,18,19).
What are the key properties of 4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide?
4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[methyl(pyridin-4-ylmethyl)amino]benzenesulfonamide is sourced from PubChem (CID 82907539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).