N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

C17H24N2O4S — CID 6624217

IUPACN-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NC1CCCC(C)C1C)OCC(=O)N2
InChIInChI=1S/C17H24N2O4S/c1-10-5-4-6-13(12(10)3)19-24(21,22)16-8-15-14(7-11(16)2)18-17(20)9-23-15/h7-8,10,12-13,19H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyWOAHIUBITLDPGX-UHFFFAOYSA-N
MW352.46 g/mol
LogP2.43
Rot. Bonds3

About N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 6624217) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID6624217
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC NameN-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCc1cc2c(cc1S(=O)(=O)NC1CCCC(C)C1C)OCC(=O)N2
InChIInChI=1S/C17H24N2O4S/c1-10-5-4-6-13(12(10)3)19-24(21,22)16-8-15-14(7-11(16)2)18-17(20)9-23-15/h7-8,10,12-13,19H,4-6,9H2,1-3H3,(H,18,20)
InChIKeyWOAHIUBITLDPGX-UHFFFAOYSA-N
XLogP2.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylcyclohexyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 126457773
N-cycloheptyl-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 5312260
N-(2-methylcyclohexyl)-3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
CID 22551293
6-methyl-3-oxo-N-(oxolan-2-ylmethyl)-4H-1,4-benzoxazine-7-sulfonamide
CID 6624144
6-methyl-3-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4H-1,4-benzoxazine-7-sulfonamide
CID 92683774
N-(4-methoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548325
N-cyclohexyl-N-methyl-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
CID 46288667
2,4-dimethyl-5-(methylaminomethyl)-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064380
N-[(4-methoxyphenyl)methyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 119055497
6-methyl-7-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]-4H-1,4-benzoxazin-3-one
CID 92683798
(3R)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-3-carboxylic acid
CID 92863879
N-[2-(4-chlorophenyl)ethyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548331

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CID 6624217) is N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is Cc1cc2c(cc1S(=O)(=O)NC1CCCC(C)C1C)OCC(=O)N2.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is WOAHIUBITLDPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-10-5-4-6-13(12(10)3)19-24(21,22)16-8-15-14(7-11(16)2)18-17(20)9-23-15/h7-8,10,12-13,19H,4-6,9H2,1-3H3,(H,18,20).
What are the key properties of N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
N-(2,3-dimethylcyclohexyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 352.46 g/mol, XLogP of 2.43, 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)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 6624217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).