1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide

C17H17ClN2O4S — CID 110404755

IUPAC1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide
SMILESO=C1Nc2ccccc2OC1CCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4S/c18-13-7-5-12(6-8-13)11-25(22,23)19-10-9-16-17(21)20-14-3-1-2-4-15(14)24-16/h1-8,16,19H,9-11H2,(H,20,21)
InChIKeyJNVFRIQHCVLFBW-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.55
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide

1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide (PubChem CID 110404755) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide
PubChem CID110404755
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide
SMILESO=C1Nc2ccccc2OC1CCNS(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O4S/c18-13-7-5-12(6-8-13)11-25(22,23)19-10-9-16-17(21)20-14-3-1-2-4-15(14)24-16/h1-8,16,19H,9-11H2,(H,20,21)
InChIKeyJNVFRIQHCVLFBW-UHFFFAOYSA-N
XLogP2.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide 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

2-(4-chlorophenyl)-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]acetamide
CID 110404332
2-(2-aminoethyl)-4H-1,4-benzoxazin-3-one
CID 82111928
1-(4-chlorophenyl)-N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]methanesulfonamide
CID 110722226
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]furan-2-carboxamide
CID 110404630
ethane;2-(2-hydroxyethyl)-4H-1,4-benzoxazin-3-one
CID 90923836
N-[5-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 110404772
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]pentanamide
CID 110404623
N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]oxolane-2-carboxamide
CID 110404626
1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide
CID 110722375
methyl 4-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzoate
CID 22478824
2-(2-piperazin-1-ylethyl)-4H-1,4-benzoxazin-3-one
CID 116990893
2,4-dimethoxy-N-[(3-oxo-4H-1,4-benzoxazin-2-yl)methyl]benzenesulfonamide
CID 110404413

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide (CID 110404755) is 1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide is O=C1Nc2ccccc2OC1CCNS(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide?
The InChIKey is JNVFRIQHCVLFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-13-7-5-12(6-8-13)11-25(22,23)19-10-9-16-17(21)20-14-3-1-2-4-15(14)24-16/h1-8,16,19H,9-11H2,(H,20,21).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide has a molecular weight of 380.85 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(3-oxo-4H-1,4-benzoxazin-2-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 110404755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).