4-[(pyridin-4-ylamino)methyl]benzenesulfonamide

C12H13N3O2S — CID 29036567

IUPAC4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C12H13N3O2S/c13-18(16,17)12-3-1-10(2-4-12)9-15-11-5-7-14-8-6-11/h1-8H,9H2,(H,14,15)(H2,13,16,17)
InChIKeyZHPDWSIJHQWAHH-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.34
Rot. Bonds4

About 4-[(pyridin-4-ylamino)methyl]benzenesulfonamide

4-[(pyridin-4-ylamino)methyl]benzenesulfonamide (PubChem CID 29036567) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-[(pyridin-4-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
PubChem CID29036567
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccncc2)cc1
InChIInChI=1S/C12H13N3O2S/c13-18(16,17)12-3-1-10(2-4-12)9-15-11-5-7-14-8-6-11/h1-8H,9H2,(H,14,15)(H2,13,16,17)
InChIKeyZHPDWSIJHQWAHH-UHFFFAOYSA-N
XLogP1.34
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 834409
4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide
CID 61253359
N-[[4-(aminomethyl)phenyl]methyl]pyridin-4-amine
CID 60918879
N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
CID 130329770
4-[(4-sulfamoylphenyl)methylamino]benzenecarbothioamide
CID 29295496
4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 17292493
N-[[4-(anilinomethyl)phenyl]methyl]pyridin-4-amine
CID 167597738
4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112860886
3-methyl-5-[(4-sulfamoylphenyl)methylamino]benzenesulfonamide
CID 167881522
4-methyl-3-(pyridin-4-ylmethylamino)benzenesulfonamide
CID 43744201
1-(pyridin-4-ylmethyl)-3-(4-sulfamoylphenyl)thiourea
CID 3261165
1-pyridin-4-yl-3-(4-sulfamoylphenyl)urea
CID 108892683

Frequently Asked Questions

What is the IUPAC name of 4-[(pyridin-4-ylamino)methyl]benzenesulfonamide?
The IUPAC name of 4-[(pyridin-4-ylamino)methyl]benzenesulfonamide (CID 29036567) is 4-[(pyridin-4-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(pyridin-4-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(pyridin-4-ylamino)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2ccncc2)cc1.
What is the InChIKey of 4-[(pyridin-4-ylamino)methyl]benzenesulfonamide?
The InChIKey is ZHPDWSIJHQWAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c13-18(16,17)12-3-1-10(2-4-12)9-15-11-5-7-14-8-6-11/h1-8H,9H2,(H,14,15)(H2,13,16,17).
What are the key properties of 4-[(pyridin-4-ylamino)methyl]benzenesulfonamide?
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide has a molecular weight of 263.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pyridin-4-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 29036567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).