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

C16H15FN2O3S2 — CID 20903340

IUPAC2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESCCC1Sc2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2NC1=O
InChIInChI=1S/C16H15FN2O3S2/c1-2-14-16(20)18-13-9-12(6-7-15(13)23-14)24(21,22)19-11-5-3-4-10(17)8-11/h3-9,14,19H,2H2,1H3,(H,18,20)
InChIKeyYZOHKKMANRTWBU-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.45
Rot. Bonds4

About 2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide

2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (PubChem CID 20903340) has the molecular formula C16H15FN2O3S2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
PubChem CID20903340
Molecular FormulaC16H15FN2O3S2
Molecular Weight366.44 g/mol
Exact Mass366.05
IUPAC Name2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
SMILESCCC1Sc2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2NC1=O
InChIInChI=1S/C16H15FN2O3S2/c1-2-14-16(20)18-13-9-12(6-7-15(13)23-14)24(21,22)19-11-5-3-4-10(17)8-11/h3-9,14,19H,2H2,1H3,(H,18,20)
InChIKeyYZOHKKMANRTWBU-UHFFFAOYSA-N
XLogP3.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-(3-fluorophenyl)propanamide
CID 20902898
N-(4-ethoxyphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 20903343
N-(5-chloro-2-methylphenyl)-2-ethyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 20903336
2-ethyl-3-oxo-N-[4-(phenylsulfamoyl)phenyl]-4H-1,4-benzothiazine-6-carboxamide
CID 169008465
(2S)-N-(3-fluorophenyl)-2-(4-methylpiperidine-1-carbonyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 95085057
N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 110759476
(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-(3-chlorophenyl)-3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]propanamide
CID 20902878
3-[(2-ethyl-3-oxo-4H-1,4-benzothiazin-6-yl)sulfonyl]-N-(3-methoxyphenyl)propanamide
CID 20902876
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluorophenyl)acetamide
CID 51284892
2-methyl-3-oxo-N-pyrimidin-2-yl-4H-1,4-benzothiazine-6-sulfonamide
CID 110759504
N-(2,5-difluorophenyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20935302

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The IUPAC name of 2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide (CID 20903340) is 2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide.
What is the SMILES notation for 2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The canonical SMILES for 2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is CCC1Sc2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2NC1=O.
What is the InChIKey of 2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
The InChIKey is YZOHKKMANRTWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S2/c1-2-14-16(20)18-13-9-12(6-7-15(13)23-14)24(21,22)19-11-5-3-4-10(17)8-11/h3-9,14,19H,2H2,1H3,(H,18,20).
What are the key properties of 2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide?
2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide has a molecular weight of 366.44 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-fluorophenyl)-3-oxo-4H-1,4-benzothiazine-6-sulfonamide is sourced from PubChem (CID 20903340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).