N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide

C17H16N4O4S — CID 66553087

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide
SMILESNc1c(NS(=O)(=O)c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H16N4O4S/c18-15-14(20-26(24,25)13-9-5-2-6-10-13)16(22)19-17(23)21(15)11-12-7-3-1-4-8-12/h1-10,20H,11,18H2,(H,19,22,23)
InChIKeyVEUJHCYBBDYKBP-UHFFFAOYSA-N
MW372.41 g/mol
LogP0.97
Rot. Bonds5

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide (PubChem CID 66553087) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide
PubChem CID66553087
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide
SMILESNc1c(NS(=O)(=O)c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
InChIInChI=1S/C17H16N4O4S/c18-15-14(20-26(24,25)13-9-5-2-6-10-13)16(22)19-17(23)21(15)11-12-7-3-1-4-8-12/h1-10,20H,11,18H2,(H,19,22,23)
InChIKeyVEUJHCYBBDYKBP-UHFFFAOYSA-N
XLogP0.97
TPSA127.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide (CID 66553087) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide is Nc1c(NS(=O)(=O)c2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide?
The InChIKey is VEUJHCYBBDYKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c18-15-14(20-26(24,25)13-9-5-2-6-10-13)16(22)19-17(23)21(15)11-12-7-3-1-4-8-12/h1-10,20H,11,18H2,(H,19,22,23).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide has a molecular weight of 372.41 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 66553087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).