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

C20H13FN2O4S — CID 2738094

IUPAC4-fluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
SMILESO=c1oc(-c2ccccc2NS(=O)(=O)c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C20H13FN2O4S/c21-13-9-11-14(12-10-13)28(25,26)23-18-8-4-1-5-15(18)19-22-17-7-3-2-6-16(17)20(24)27-19/h1-12,23H
InChIKeyZKFSJQDHHGMGOY-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.79
Rot. Bonds4

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

4-fluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide (PubChem CID 2738094) has the molecular formula C20H13FN2O4S and a molecular weight of 396.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
PubChem CID2738094
Molecular FormulaC20H13FN2O4S
Molecular Weight396.40 g/mol
Exact Mass396.06
IUPAC Name4-fluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
SMILESO=c1oc(-c2ccccc2NS(=O)(=O)c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C20H13FN2O4S/c21-13-9-11-14(12-10-13)28(25,26)23-18-8-4-1-5-15(18)19-22-17-7-3-2-6-16(17)20(24)27-19/h1-12,23H
InChIKeyZKFSJQDHHGMGOY-UHFFFAOYSA-N
XLogP3.79
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Oxobenzoxazinyl naphthalene sulfoanilide
CID 82379
2-(4-fluorophenyl)-4H-3,1-benzoxazin-4-one
CID 708482
N-(2-(4-Oxo-4H-3,1-benzoxazin-2-yl)phenyl)-p-toluenesulphonamide
CID 989114
2-(2-fluorophenyl)-4H-3,1-benzoxazin-4-one
CID 709912
2-(3-fluorophenyl)-4H-3,1-benzoxazin-4-one
CID 699937
Ethyl 2-{[(4-methylphenyl)sulfonyl]amino}benzoate
CID 629239
Benzenesulfonamide, N-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-
CID 1037220
N1-[2-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]-4-chlorobenzene-1-sulfonamide
CID 2732124
Methyl 2-{[(4-fluorophenyl)sulfonyl]amino}benzoate
CID 743385
2-(2-aminophenyl)-4H-3,1-benzoxazin-4-one
CID 838395
Ethyl 2-[(phenylsulfonyl)amino]benzoate
CID 627734
2-(3-Morpholin-4-ylsulfonylphenyl)-3,1-benzoxazin-4-one
CID 3236240

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide (CID 2738094) is 4-fluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide is O=c1oc(-c2ccccc2NS(=O)(=O)c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 4-fluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is ZKFSJQDHHGMGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN2O4S/c21-13-9-11-14(12-10-13)28(25,26)23-18-8-4-1-5-15(18)19-22-17-7-3-2-6-16(17)20(24)27-19/h1-12,23H.
What are the key properties of 4-fluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide?
4-fluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 396.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 2738094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).