N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide

C10H11N5O3S — CID 135418800

IUPACN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide
SMILESNc1nc(N)c(NS(=O)(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H11N5O3S/c11-8-7(9(16)14-10(12)13-8)15-19(17,18)6-4-2-1-3-5-6/h1-5,15H,(H5,11,12,13,14,16)
InChIKeyGHEHXOLLRSQVLP-UHFFFAOYSA-N
MW281.30 g/mol
LogP-0.26
Rot. Bonds3

About N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide

N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide (PubChem CID 135418800) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide
PubChem CID135418800
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC NameN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide
SMILESNc1nc(N)c(NS(=O)(=O)c2ccccc2)c(=O)[nH]1
InChIInChI=1S/C10H11N5O3S/c11-8-7(9(16)14-10(12)13-8)15-19(17,18)6-4-2-1-3-5-6/h1-5,15H,(H5,11,12,13,14,16)
InChIKeyGHEHXOLLRSQVLP-UHFFFAOYSA-N
XLogP-0.26
TPSA143.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide (CID 135418800) is N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide is Nc1nc(N)c(NS(=O)(=O)c2ccccc2)c(=O)[nH]1.
What is the InChIKey of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide?
The InChIKey is GHEHXOLLRSQVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c11-8-7(9(16)14-10(12)13-8)15-19(17,18)6-4-2-1-3-5-6/h1-5,15H,(H5,11,12,13,14,16).
What are the key properties of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide?
N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide has a molecular weight of 281.30 g/mol, XLogP of -0.26, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 135418800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).