2-(pyrimidin-4-ylmethylamino)benzenesulfonamide

C11H12N4O2S — CID 114111495

IUPAC2-(pyrimidin-4-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCc1ccncn1
InChIInChI=1S/C11H12N4O2S/c12-18(16,17)11-4-2-1-3-10(11)14-7-9-5-6-13-8-15-9/h1-6,8,14H,7H2,(H2,12,16,17)
InChIKeyQFWMOSWCIKCSPD-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.74
Rot. Bonds4

About 2-(pyrimidin-4-ylmethylamino)benzenesulfonamide

2-(pyrimidin-4-ylmethylamino)benzenesulfonamide (PubChem CID 114111495) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-(pyrimidin-4-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(pyrimidin-4-ylmethylamino)benzenesulfonamide
PubChem CID114111495
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name2-(pyrimidin-4-ylmethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCc1ccncn1
InChIInChI=1S/C11H12N4O2S/c12-18(16,17)11-4-2-1-3-10(11)14-7-9-5-6-13-8-15-9/h1-6,8,14H,7H2,(H2,12,16,17)
InChIKeyQFWMOSWCIKCSPD-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

2-(pyrimidin-4-ylamino)benzenesulfonamide
CID 69322582
2-(pyrimidin-4-ylmethylamino)benzonitrile
CID 62759502
2-[(4-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 114956651
2-[(2-sulfamoylanilino)methyl]pyridine-4-carboxylic acid
CID 114324429
2-(1H-1,2,4-triazol-5-ylmethylamino)benzenesulfonamide
CID 54884650
3-bromo-2-methyl-N-(pyrimidin-4-ylmethyl)aniline
CID 107629774
2-phenoxy-N-(pyrimidin-4-ylmethyl)aniline
CID 62758918
2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62996272
3-chloro-2-methyl-N-(pyrimidin-4-ylmethyl)aniline
CID 62759477
2-[(4-methyl-1,3-thiazol-5-yl)methylamino]benzenesulfonamide
CID 63280801
methyl 2-methyl-3-(pyrimidin-4-ylmethylamino)benzoate
CID 55109818
2-(4,4,4-trifluorobutylamino)benzenesulfonamide
CID 113327785

Frequently Asked Questions

What is the IUPAC name of 2-(pyrimidin-4-ylmethylamino)benzenesulfonamide?
The IUPAC name of 2-(pyrimidin-4-ylmethylamino)benzenesulfonamide (CID 114111495) is 2-(pyrimidin-4-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 2-(pyrimidin-4-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 2-(pyrimidin-4-ylmethylamino)benzenesulfonamide is NS(=O)(=O)c1ccccc1NCc1ccncn1.
What is the InChIKey of 2-(pyrimidin-4-ylmethylamino)benzenesulfonamide?
The InChIKey is QFWMOSWCIKCSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c12-18(16,17)11-4-2-1-3-10(11)14-7-9-5-6-13-8-15-9/h1-6,8,14H,7H2,(H2,12,16,17).
What are the key properties of 2-(pyrimidin-4-ylmethylamino)benzenesulfonamide?
2-(pyrimidin-4-ylmethylamino)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 2-(pyrimidin-4-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 114111495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).