4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

C18H25ClN2O4S — CID 22550876

IUPAC4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCC(=O)N1CCOc2cc(S(=O)(=O)NC3CCCCCCC3)c(Cl)cc21
InChIInChI=1S/C18H25ClN2O4S/c1-13(22)21-9-10-25-17-12-18(15(19)11-16(17)21)26(23,24)20-14-7-5-3-2-4-6-8-14/h11-12,14,20H,2-10H2,1H3
InChIKeyUJEQMLXDJGBDJV-UHFFFAOYSA-N
MW400.93 g/mol
LogP3.48
Rot. Bonds3

About 4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide

4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (PubChem CID 22550876) has the molecular formula C18H25ClN2O4S and a molecular weight of 400.93 g/mol. Its IUPAC name is 4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
PubChem CID22550876
Molecular FormulaC18H25ClN2O4S
Molecular Weight400.93 g/mol
Exact Mass400.12
IUPAC Name4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
SMILESCC(=O)N1CCOc2cc(S(=O)(=O)NC3CCCCCCC3)c(Cl)cc21
InChIInChI=1S/C18H25ClN2O4S/c1-13(22)21-9-10-25-17-12-18(15(19)11-16(17)21)26(23,24)20-14-7-5-3-2-4-6-8-14/h11-12,14,20H,2-10H2,1H3
InChIKeyUJEQMLXDJGBDJV-UHFFFAOYSA-N
XLogP3.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-6-chloro-N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 22550903
1-(6-chloro-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 22550896
4-acetyl-N-cycloheptyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 126457873
1-acetyl-5-chloro-N-cyclohexyl-2,3-dihydroindole-6-sulfonamide
CID 118906205
4-acetyl-6-chloro-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 22550909
4-acetyl-6-chloro-N-(3-methylsulfanylphenyl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 22550910
4-acetyl-N-(1,3-benzodioxol-5-ylmethyl)-6-chloro-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 22550895
N-cyclohexyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 6624226
N-cyclopentyl-4,6-dimethyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 22550805
ethyl 3-[(4-acetyl-6-chloro-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylamino]benzoate
CID 22550884
1-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonyl]-N-cyclooctylpiperidine-4-carboxamide
CID 20900911
2,4-dichloro-N-cyclohexyl-5-(cyclopropylsulfamoyl)-N-methylbenzamide
CID 19257581

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide (CID 22550876) is 4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is CC(=O)N1CCOc2cc(S(=O)(=O)NC3CCCCCCC3)c(Cl)cc21.
What is the InChIKey of 4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
The InChIKey is UJEQMLXDJGBDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O4S/c1-13(22)21-9-10-25-17-12-18(15(19)11-16(17)21)26(23,24)20-14-7-5-3-2-4-6-8-14/h11-12,14,20H,2-10H2,1H3.
What are the key properties of 4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide?
4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide has a molecular weight of 400.93 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-chloro-N-cyclooctyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 22550876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).