N-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide

C12H17N3O3S — CID 39100355

IUPACN-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CN2
InChIInChI=1S/C12H17N3O3S/c1-8(2)6-14-19(17,18)9-3-4-10-11(5-9)15-12(16)7-13-10/h3-5,8,13-14H,6-7H2,1-2H3,(H,15,16)
InChIKeyOVKSNPCZXHSQMP-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.98
Rot. Bonds4

About N-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide

N-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide (PubChem CID 39100355) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide
PubChem CID39100355
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CN2
InChIInChI=1S/C12H17N3O3S/c1-8(2)6-14-19(17,18)9-3-4-10-11(5-9)15-12(16)7-13-10/h3-5,8,13-14H,6-7H2,1-2H3,(H,15,16)
InChIKeyOVKSNPCZXHSQMP-UHFFFAOYSA-N
XLogP0.98
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-N-(2-methylpropyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 124853126
N-(2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629041
N-[(2R)-2-(ethylamino)propyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide;hydrochloride
CID 120664921
N-(2-aminobutyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 63732434
N-(3-methylbutyl)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepine-7-sulfonamide
CID 110759104
3-amino-4-ethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43256978
4-(4-methylphenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 70038697
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 112990517
N-(2-methylbutyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 62693554
N-butyl-3-oxo-4H-1,4-benzothiazine-7-sulfonamide
CID 126458806
N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113038545
N-(2-methylpropyl)-3-methylsulfonylbenzenesulfonamide
CID 47154529

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide?
The IUPAC name of N-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide (CID 39100355) is N-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide?
The canonical SMILES for N-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide is CC(C)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CN2.
What is the InChIKey of N-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide?
The InChIKey is OVKSNPCZXHSQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-8(2)6-14-19(17,18)9-3-4-10-11(5-9)15-12(16)7-13-10/h3-5,8,13-14H,6-7H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide?
N-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide has a molecular weight of 283.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-oxo-2,4-dihydro-1H-quinoxaline-6-sulfonamide is sourced from PubChem (CID 39100355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).