N-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide

C14H17N3O4S — CID 54580672

IUPACN-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)Nn1c(=O)[nH]c2cc(C3CCCC3)ccc2c1=O
InChIInChI=1S/C14H17N3O4S/c1-22(20,21)16-17-13(18)11-7-6-10(9-4-2-3-5-9)8-12(11)15-14(17)19/h6-9,16H,2-5H2,1H3,(H,15,19)
InChIKeyYVXNJAHXWSFCAQ-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.85
Rot. Bonds3

About N-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide

N-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide (PubChem CID 54580672) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide
PubChem CID54580672
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)Nn1c(=O)[nH]c2cc(C3CCCC3)ccc2c1=O
InChIInChI=1S/C14H17N3O4S/c1-22(20,21)16-17-13(18)11-7-6-10(9-4-2-3-5-9)8-12(11)15-14(17)19/h6-9,16H,2-5H2,1H3,(H,15,19)
InChIKeyYVXNJAHXWSFCAQ-UHFFFAOYSA-N
XLogP0.85
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide?
The IUPAC name of N-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide (CID 54580672) is N-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide?
The canonical SMILES for N-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide is CS(=O)(=O)Nn1c(=O)[nH]c2cc(C3CCCC3)ccc2c1=O.
What is the InChIKey of N-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide?
The InChIKey is YVXNJAHXWSFCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-22(20,21)16-17-13(18)11-7-6-10(9-4-2-3-5-9)8-12(11)15-14(17)19/h6-9,16H,2-5H2,1H3,(H,15,19).
What are the key properties of N-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide?
N-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide has a molecular weight of 323.37 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclopentyl-2,4-dioxo-1H-quinazolin-3-yl)methanesulfonamide is sourced from PubChem (CID 54580672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).