N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide

C15H21N3O4S — CID 134034377

IUPACN-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C15H21N3O4S/c1-9(2)4-5-10(3)18-23(21,22)11-6-7-13-12(8-11)14(19)17-15(20)16-13/h6-10,18H,4-5H2,1-3H3,(H2,16,17,19,20)
InChIKeyJKYBEYQMYSXTBU-UHFFFAOYSA-N
MW339.42 g/mol
LogP1.32
Rot. Bonds6

About N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide

N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 134034377) has the molecular formula C15H21N3O4S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID134034377
Molecular FormulaC15H21N3O4S
Molecular Weight339.42 g/mol
Exact Mass339.13
IUPAC NameN-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCC(C)CCC(C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C15H21N3O4S/c1-9(2)4-5-10(3)18-23(21,22)11-6-7-13-12(8-11)14(19)17-15(20)16-13/h6-10,18H,4-5H2,1-3H3,(H2,16,17,19,20)
InChIKeyJKYBEYQMYSXTBU-UHFFFAOYSA-N
XLogP1.32
TPSA111.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide with MolForge

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Related Compounds

N-[2-(methylamino)propyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 120825205
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565667
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 52565668
N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 119986757
N-(2-amino-1-cyclopropylethyl)-2,4-dioxo-1H-quinazoline-6-sulfonamide;hydrochloride
CID 119986756
N-[1-(4-tert-butylphenyl)-2-methylpropyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 42947085
N-ethyl-2,4-dioxo-N-propan-2-yl-1H-quinazoline-6-sulfonamide
CID 100669619
N-[(2R)-5-methylhexan-2-yl]naphthalene-2-sulfonamide
CID 31481331
N-[(2S)-5-(diethylamino)pentan-2-yl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7602577
4-(5-methylhexan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958176
N-cyclopentyl-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 134034344
4-amino-3-chloro-N-(5-methylhexan-2-yl)benzenesulfonamide
CID 115330116

Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 134034377) is N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide is CC(C)CCC(C)NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is JKYBEYQMYSXTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4S/c1-9(2)4-5-10(3)18-23(21,22)11-6-7-13-12(8-11)14(19)17-15(20)16-13/h6-10,18H,4-5H2,1-3H3,(H2,16,17,19,20).
What are the key properties of N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 339.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 134034377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).