N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide

C16H15FN2O4S — CID 110639956

IUPACN-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide
SMILESCC(=O)N1CCOc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C16H15FN2O4S/c1-11(20)19-8-9-23-16-10-13(4-7-15(16)19)18-24(21,22)14-5-2-12(17)3-6-14/h2-7,10,18H,8-9H2,1H3
InChIKeySFBIPNKJGSSTIH-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.37
Rot. Bonds3

About N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide

N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide (PubChem CID 110639956) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide
PubChem CID110639956
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC NameN-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide
SMILESCC(=O)N1CCOc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C16H15FN2O4S/c1-11(20)19-8-9-23-16-10-13(4-7-15(16)19)18-24(21,22)14-5-2-12(17)3-6-14/h2-7,10,18H,8-9H2,1H3
InChIKeySFBIPNKJGSSTIH-UHFFFAOYSA-N
XLogP2.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-(4-propan-2-ylphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519416
4-acetyl-N-(3,5-dimethoxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519354
N-[3-[(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide
CID 110650548
4-acetyl-N-cycloheptyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 126457873
4-acetyl-N-[3,5-bis(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22519421
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)methanesulfonamide
CID 110412787
1-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-propan-2-ylurea
CID 110747560
4-acetyl-N-(4-propan-2-yloxyphenyl)-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 110650367
N-[4-[[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]sulfamoyl]phenyl]acetamide
CID 3231773
4-acetyl-N-(4-bromo-3-methylphenyl)-6-methyl-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 22550733
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
3-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-1,1-diethylurea
CID 110639935

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide (CID 110639956) is N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide is CC(=O)N1CCOc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide?
The InChIKey is SFBIPNKJGSSTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4S/c1-11(20)19-8-9-23-16-10-13(4-7-15(16)19)18-24(21,22)14-5-2-12(17)3-6-14/h2-7,10,18H,8-9H2,1H3.
What are the key properties of N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide?
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide has a molecular weight of 350.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 110639956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).