N-(3-chloro-4-fluorophenyl)-4-methyl-2-oxo-3H-1,4-benzoxazine-6-sulfonamide

C15H12ClFN2O4S — CID 57385924

IUPACN-(3-chloro-4-fluorophenyl)-4-methyl-2-oxo-3H-1,4-benzoxazine-6-sulfonamide
SMILESCN1CC(=O)Oc2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C15H12ClFN2O4S/c1-19-8-15(20)23-14-5-3-10(7-13(14)19)24(21,22)18-9-2-4-12(17)11(16)6-9/h2-7,18H,8H2,1H3
InChIKeyFMPWUTRUOZIOCH-UHFFFAOYSA-N
MW370.79 g/mol
LogP2.64
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-4-methyl-2-oxo-3H-1,4-benzoxazine-6-sulfonamide (PubChem CID 57385924) has the molecular formula C15H12ClFN2O4S and a molecular weight of 370.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-methyl-2-oxo-3H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-methyl-2-oxo-3H-1,4-benzoxazine-6-sulfonamide
PubChem CID57385924
Molecular FormulaC15H12ClFN2O4S
Molecular Weight370.79 g/mol
Exact Mass370.02
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-methyl-2-oxo-3H-1,4-benzoxazine-6-sulfonamide
SMILESCN1CC(=O)Oc2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc21
InChIInChI=1S/C15H12ClFN2O4S/c1-19-8-15(20)23-14-5-3-10(7-13(14)19)24(21,22)18-9-2-4-12(17)11(16)6-9/h2-7,18H,8H2,1H3
InChIKeyFMPWUTRUOZIOCH-UHFFFAOYSA-N
XLogP2.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.79
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8501061
3-chloro-4-fluoro-N-(1-methyl-2-oxo-3H-indol-5-yl)benzenesulfonamide
CID 18570718
3-chloro-N-[4-(dimethylsulfamoyl)phenyl]-4-fluorobenzenesulfonamide
CID 8603687
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
N-(3-chloro-4-fluorophenyl)-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 3407312
3-chloro-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-4-fluorobenzenesulfonamide
CID 51963341
N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 39825155
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
N-(4-chlorophenyl)-5-methyl-6-oxobenzo[b][1,4]benzoxazepine-8-sulfonamide
CID 26435665
3-chloro-4-fluoro-N-[1-(3-methylbutyl)-2-oxo-3,4-dihydroquinolin-6-yl]benzenesulfonamide
CID 16820986
3-chloro-4-fluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 8015629
3-chloro-4-fluoro-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 42992279

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methyl-2-oxo-3H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-methyl-2-oxo-3H-1,4-benzoxazine-6-sulfonamide (CID 57385924) is N-(3-chloro-4-fluorophenyl)-4-methyl-2-oxo-3H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-methyl-2-oxo-3H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-methyl-2-oxo-3H-1,4-benzoxazine-6-sulfonamide is CN1CC(=O)Oc2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc21.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-methyl-2-oxo-3H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is FMPWUTRUOZIOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O4S/c1-19-8-15(20)23-14-5-3-10(7-13(14)19)24(21,22)18-9-2-4-12(17)11(16)6-9/h2-7,18H,8H2,1H3.
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-methyl-2-oxo-3H-1,4-benzoxazine-6-sulfonamide?
N-(3-chloro-4-fluorophenyl)-4-methyl-2-oxo-3H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 370.79 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-methyl-2-oxo-3H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 57385924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).