N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

C14H11FN2O3S2 — CID 110759476

IUPACN-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESO=C1CSc2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2N1
InChIInChI=1S/C14H11FN2O3S2/c15-9-2-1-3-10(6-9)17-22(19,20)11-4-5-13-12(7-11)16-14(18)8-21-13/h1-7,17H,8H2,(H,16,18)
InChIKeyNCMCAQILKGQEFJ-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.67
Rot. Bonds3

About N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (PubChem CID 110759476) has the molecular formula C14H11FN2O3S2 and a molecular weight of 338.39 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
PubChem CID110759476
Molecular FormulaC14H11FN2O3S2
Molecular Weight338.39 g/mol
Exact Mass338.02
IUPAC NameN-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESO=C1CSc2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2N1
InChIInChI=1S/C14H11FN2O3S2/c15-9-2-1-3-10(6-9)17-22(19,20)11-4-5-13-12(7-11)16-14(18)8-21-13/h1-7,17H,8H2,(H,16,18)
InChIKeyNCMCAQILKGQEFJ-UHFFFAOYSA-N
XLogP2.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-oxo-4H-1,4-benzothiazin-6-yl)sulfonylamino]phenyl]acetamide
CID 45491872
3-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzenesulfonamide
CID 110778775
N-(4-cyanophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 110759482
3-oxo-N-(2,4,6-trimethylphenyl)-4H-1,4-benzothiazine-6-sulfonamide
CID 22550030
2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 20903340
N-(3-methylsulfanylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20927733
N-cyclooctyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550000
3-oxo-N-(1,3-thiazol-2-yl)-4H-1,4-benzothiazine-6-sulfonamide
CID 110759474
(3S)-N-(3-fluorophenyl)-4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 92897748
N-benzyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550066
3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
6-[(2,6-dichlorophenyl)methylsulfonyl]-4H-1,4-benzothiazin-3-one
CID 90074925

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The IUPAC name of N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (CID 110759476) is N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is O=C1CSc2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2N1.
What is the InChIKey of N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The InChIKey is NCMCAQILKGQEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O3S2/c15-9-2-1-3-10(6-9)17-22(19,20)11-4-5-13-12(7-11)16-14(18)8-21-13/h1-7,17H,8H2,(H,16,18).
What are the key properties of N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide has a molecular weight of 338.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is sourced from PubChem (CID 110759476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).