4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide

C23H21FN2O4S — CID 155516321

IUPAC4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide
SMILESCC(C)N1C(=O)COc2ccc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)cc21
InChIInChI=1S/C23H21FN2O4S/c1-15(2)26-21-13-17(6-11-22(21)30-14-23(26)27)16-4-3-5-19(12-16)25-31(28,29)20-9-7-18(24)8-10-20/h3-13,15,25H,14H2,1-2H3
InChIKeyRPUTVWSAKNSGLH-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.43
Rot. Bonds5

About 4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide

4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 155516321) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide
PubChem CID155516321
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC Name4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide
SMILESCC(C)N1C(=O)COc2ccc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)cc21
InChIInChI=1S/C23H21FN2O4S/c1-15(2)26-21-13-17(6-11-22(21)30-14-23(26)27)16-4-3-5-19(12-16)25-31(28,29)20-9-7-18(24)8-10-20/h3-13,15,25H,14H2,1-2H3
InChIKeyRPUTVWSAKNSGLH-UHFFFAOYSA-N
XLogP4.43
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide with MolForge

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Related Compounds

N-[3-[4-(4-chlorophenyl)-3-oxo-1,4-benzoxazin-6-yl]phenyl]-4-fluorobenzenesulfonamide
CID 147915791
3-oxo-4-propan-2-yl-1,4-benzoxazine-6-sulfonyl chloride
CID 82025529
4-fluoro-N-(3-propan-2-ylphenyl)benzenesulfonamide
CID 26968411
N-[2-chloro-5-[4-(3-methoxyphenyl)-3-oxo-1,4-benzoxazin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 148928697
N-[4-[[4-[(4-fluorophenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]sulfamoyl]phenyl]acetamide
CID 3231773
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
N-(4-fluorophenyl)-2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 23409636
4-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-(4-fluorophenyl)-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 50824729
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
N-[3-(5-fluoro-1H-indol-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 46375053
5-[3-[(4-fluorophenyl)sulfonylamino]phenyl]furan-2-carboxylic acid
CID 91688108
N-(3-methylphenyl)-2-[3-oxo-6-(propan-2-ylsulfamoyl)-1,4-benzoxazin-4-yl]acetamide
CID 20914837

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide (CID 155516321) is 4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide is CC(C)N1C(=O)COc2ccc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)cc21.
What is the InChIKey of 4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide?
The InChIKey is RPUTVWSAKNSGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c1-15(2)26-21-13-17(6-11-22(21)30-14-23(26)27)16-4-3-5-19(12-16)25-31(28,29)20-9-7-18(24)8-10-20/h3-13,15,25H,14H2,1-2H3.
What are the key properties of 4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide?
4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 440.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(3-oxo-4-propan-2-yl-1,4-benzoxazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 155516321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).