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

C10H9N3O4S — CID 23042626

IUPACN-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide
SMILESO=c1cc(O)nc(NS(=O)(=O)c2ccccc2)[nH]1
InChIInChI=1S/C10H9N3O4S/c14-8-6-9(15)12-10(11-8)13-18(16,17)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14,15)
InChIKeyZAKMOHYYFMKCTR-UHFFFAOYSA-N
MW267.27 g/mol
LogP0.28
Rot. Bonds3

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

N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide (PubChem CID 23042626) has the molecular formula C10H9N3O4S and a molecular weight of 267.27 g/mol. Its IUPAC name is N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide
PubChem CID23042626
Molecular FormulaC10H9N3O4S
Molecular Weight267.27 g/mol
Exact Mass267.03
IUPAC NameN-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide
SMILESO=c1cc(O)nc(NS(=O)(=O)c2ccccc2)[nH]1
InChIInChI=1S/C10H9N3O4S/c14-8-6-9(15)12-10(11-8)13-18(16,17)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14,15)
InChIKeyZAKMOHYYFMKCTR-UHFFFAOYSA-N
XLogP0.28
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide (CID 23042626) is N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide is O=c1cc(O)nc(NS(=O)(=O)c2ccccc2)[nH]1.
What is the InChIKey of N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
The InChIKey is ZAKMOHYYFMKCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O4S/c14-8-6-9(15)12-10(11-8)13-18(16,17)7-4-2-1-3-5-7/h1-6H,(H3,11,12,13,14,15).
What are the key properties of N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide?
N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide has a molecular weight of 267.27 g/mol, XLogP of 0.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 23042626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).