N-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide

C10H10N4O3S — CID 135773173

IUPACN-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide
SMILESNc1cc(=O)[nH]c(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C10H10N4O3S/c11-8-6-9(15)13-10(12-8)14-18(16,17)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14,15)
InChIKeyCLUYXMSQAANAAG-UHFFFAOYSA-N
MW266.28 g/mol
LogP0.15
Rot. Bonds3

About N-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide

N-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide (PubChem CID 135773173) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is N-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide
PubChem CID135773173
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC NameN-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide
SMILESNc1cc(=O)[nH]c(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C10H10N4O3S/c11-8-6-9(15)13-10(12-8)14-18(16,17)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14,15)
InChIKeyCLUYXMSQAANAAG-UHFFFAOYSA-N
XLogP0.15
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-Amino-6-hydroxy-pyrimidin-2-ylsulfanyl)-ethyl]-benzenesulfonamide
CID 135450663
N-(4-Hydroxy-6-methyl-pyrimidin-2-YL)-4-methyl-benzenesulfonamide
CID 135513566
4-amino-N-(6-hydroxypyridin-2-yl) benzenesulfonamide
CID 132472027
2-amino-5-(benzenesulfonyl)-4-methyl-1H-pyrimidin-6-one
CID 137286195
2,4-Diamino-6-oxo-3,6-dihydropyrimidin-1-ium p-toluenesulfonate
CID 139087412
4-fluoro-N-(4-methyl-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide
CID 136247671
N-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-4-fluorobenzenesulfonamide
CID 136247693
N-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-4-fluorobenzenesulfonamide
CID 136247713
4-fluoro-N-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)benzenesulfonamide
CID 136247735
N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide
CID 135418800
N-(6-hydroxypyridin-2-yl)benzenesulfonamide
CID 91697468
N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide
CID 23042626

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of N-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide (CID 135773173) is N-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide is Nc1cc(=O)[nH]c(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
The InChIKey is CLUYXMSQAANAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c11-8-6-9(15)13-10(12-8)14-18(16,17)7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14,15).
What are the key properties of N-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
N-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide has a molecular weight of 266.28 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 135773173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).