N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

C16H22N2O4S — CID 126457773

IUPACN-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)C1C
InChIInChI=1S/C16H22N2O4S/c1-10-4-3-5-13(11(10)2)18-23(20,21)12-6-7-14-15(8-12)22-9-16(19)17-14/h6-8,10-11,13,18H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyWDWUMKQGDBWLHQ-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.12
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 126457773) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID126457773
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCC1CCCC(NS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)C1C
InChIInChI=1S/C16H22N2O4S/c1-10-4-3-5-13(11(10)2)18-23(20,21)12-6-7-14-15(8-12)22-9-16(19)17-14/h6-8,10-11,13,18H,3-5,9H2,1-2H3,(H,17,19)
InChIKeyWDWUMKQGDBWLHQ-UHFFFAOYSA-N
XLogP2.12
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 6624217
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 11880721
N-(2-methylcyclohexyl)-3-[(3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
CID 126457750
N-(2-methylcyclohexyl)-3-oxo-4H-1,4-benzothiazine-7-sulfonamide
CID 126457755
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-4-methylbenzenesulfonamide
CID 7728447
4-bromo-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]benzenesulfonamide
CID 11895768
N-(3-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 126458734
4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide
CID 110504134
4-[(2,3-dimethylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 43102649
2-amino-N-(2,3-dimethylcyclohexyl)pyridine-4-sulfonamide
CID 55044375
3-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]sulfamoyl]benzoate
CID 11916136
7-(2-ethylpiperidin-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 126458848

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CID 126457773) is N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is CC1CCCC(NS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is WDWUMKQGDBWLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-10-4-3-5-13(11(10)2)18-23(20,21)12-6-7-14-15(8-12)22-9-16(19)17-14/h6-8,10-11,13,18H,3-5,9H2,1-2H3,(H,17,19).
What are the key properties of N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 338.43 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 126457773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).