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

C11H12N4O2S — CID 61253359

IUPAC4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccncn2)cc1
InChIInChI=1S/C11H12N4O2S/c12-18(16,17)10-3-1-9(2-4-10)7-14-11-5-6-13-8-15-11/h1-6,8H,7H2,(H2,12,16,17)(H,13,14,15)
InChIKeyNTOKWCFIUQSWSF-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.74
Rot. Bonds4

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

4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide (PubChem CID 61253359) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide
PubChem CID61253359
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccncn2)cc1
InChIInChI=1S/C11H12N4O2S/c12-18(16,17)10-3-1-9(2-4-10)7-14-11-5-6-13-8-15-11/h1-6,8H,7H2,(H2,12,16,17)(H,13,14,15)
InChIKeyNTOKWCFIUQSWSF-UHFFFAOYSA-N
XLogP0.74
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112860886
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
N-[(4-chlorophenyl)methyl]pyrimidin-4-amine
CID 61252594
N-[(4-ethylphenyl)methyl]pyrimidin-4-amine
CID 106900112
4-[[(4-cyano-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 24692112
4-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 114475193
4-[2-[[6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112859175
4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 106192569
4-[[(3-fluoro-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 62735276
4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 17292493
4-[[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzenesulfonamide
CID 25211077
N-[[3-(methoxymethyl)phenyl]methyl]pyrimidin-4-amine
CID 61253758

Frequently Asked Questions

What is the IUPAC name of 4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide?
The IUPAC name of 4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide (CID 61253359) is 4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for 4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for 4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2ccncn2)cc1.
What is the InChIKey of 4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide?
The InChIKey is NTOKWCFIUQSWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c12-18(16,17)10-3-1-9(2-4-10)7-14-11-5-6-13-8-15-11/h1-6,8H,7H2,(H2,12,16,17)(H,13,14,15).
What are the key properties of 4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide?
4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide has a molecular weight of 264.31 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pyrimidin-4-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 61253359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).