N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide

C13H15N3O4S — CID 134034344

IUPACN-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NC3CCCC3)ccc2[nH]1
InChIInChI=1S/C13H15N3O4S/c17-12-10-7-9(5-6-11(10)14-13(18)15-12)21(19,20)16-8-3-1-2-4-8/h5-8,16H,1-4H2,(H2,14,15,17,18)
InChIKeyKGYQIBYAXWYWAN-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.44
Rot. Bonds3

About N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide

N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 134034344) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID134034344
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESO=c1[nH]c(=O)c2cc(S(=O)(=O)NC3CCCC3)ccc2[nH]1
InChIInChI=1S/C13H15N3O4S/c17-12-10-7-9(5-6-11(10)14-13(18)15-12)21(19,20)16-8-3-1-2-4-8/h5-8,16H,1-4H2,(H2,14,15,17,18)
InChIKeyKGYQIBYAXWYWAN-UHFFFAOYSA-N
XLogP0.44
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 8777926
2,4-dioxo-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-quinazoline-6-sulfonamide
CID 55905713
N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 120726602
N-(2-methylpiperidin-3-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120726601
N-cyclooctyl-6,7,8,9-tetrahydro-5H-carbazole-3-sulfonamide
CID 20909726
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 71926432
8-(cycloheptylsulfamoyl)-4-oxo-3,5-dihydropyrrolo[2,3-c]quinoline-1-carboxylic acid
CID 68566527
N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 119986757
N-cycloheptyl-2-oxo-1H-quinoline-6-sulfonamide
CID 22548526
N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 119986756
2,4-dioxo-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-1H-quinazoline-6-sulfonamide
CID 166215334
N-[(8R)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 129471125

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 134034344) is N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide is O=c1[nH]c(=O)c2cc(S(=O)(=O)NC3CCCC3)ccc2[nH]1.
What is the InChIKey of N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is KGYQIBYAXWYWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c17-12-10-7-9(5-6-11(10)14-13(18)15-12)21(19,20)16-8-3-1-2-4-8/h5-8,16H,1-4H2,(H2,14,15,17,18).
What are the key properties of N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 309.35 g/mol, XLogP of 0.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 134034344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).