N-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C11H11N3O4S — CID 7543058

IUPACN-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H11N3O4S/c15-10-9(7-12-11(16)14-10)19(17,18)13-6-8-4-2-1-3-5-8/h1-5,7,13H,6H2,(H2,12,14,15,16)
InChIKeyDGUYPIBYMHUTGP-UHFFFAOYSA-N
MW281.29 g/mol
LogP-0.46
Rot. Bonds4

About N-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 7543058) has the molecular formula C11H11N3O4S and a molecular weight of 281.29 g/mol. Its IUPAC name is N-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID7543058
Molecular FormulaC11H11N3O4S
Molecular Weight281.29 g/mol
Exact Mass281.05
IUPAC NameN-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NCc2ccccc2)c(=O)[nH]1
InChIInChI=1S/C11H11N3O4S/c15-10-9(7-12-11(16)14-10)19(17,18)13-6-8-4-2-1-3-5-8/h1-5,7,13H,6H2,(H2,12,14,15,16)
InChIKeyDGUYPIBYMHUTGP-UHFFFAOYSA-N
XLogP-0.46
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 7543058) is N-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is O=c1[nH]cc(S(=O)(=O)NCc2ccccc2)c(=O)[nH]1.
What is the InChIKey of N-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is DGUYPIBYMHUTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4S/c15-10-9(7-12-11(16)14-10)19(17,18)13-6-8-4-2-1-3-5-8/h1-5,7,13H,6H2,(H2,12,14,15,16).
What are the key properties of N-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 281.29 g/mol, XLogP of -0.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 7543058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).