3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide

C19H21FN2O3S2 — CID 55342647

IUPAC3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCSc3ccccc32)c1
InChIInChI=1S/C19H21FN2O3S2/c1-3-21(4-2)27(24,25)14-9-10-16(20)15(13-14)19(23)22-11-12-26-18-8-6-5-7-17(18)22/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyRPRNWFXGXVUYBV-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.61
Rot. Bonds5

About 3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide

3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide (PubChem CID 55342647) has the molecular formula C19H21FN2O3S2 and a molecular weight of 408.52 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide
PubChem CID55342647
Molecular FormulaC19H21FN2O3S2
Molecular Weight408.52 g/mol
Exact Mass408.10
IUPAC Name3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCSc3ccccc32)c1
InChIInChI=1S/C19H21FN2O3S2/c1-3-21(4-2)27(24,25)14-9-10-16(20)15(13-14)19(23)22-11-12-26-18-8-6-5-7-17(18)22/h5-10,13H,3-4,11-12H2,1-2H3
InChIKeyRPRNWFXGXVUYBV-UHFFFAOYSA-N
XLogP3.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-(4-fluorophenyl)sulfonyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
CID 25195469
N-[(4-fluorophenyl)methyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 2460170
N-(3-fluorophenyl)-4-methyl-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 5082266
2-fluoro-N-(4-fluorophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 3535094
1-(3-Fluoro-4-(4-(2-(isopropylthio)-5-(methylsulfonyl)benzoyl)piperazin-1-yl)phenyl)ethanone
CID 11518581
4-(3,4-Dihydro-1(2H)-quinolinylcarbonyl)-N,N-dipropylbenzenesulfonamide
CID 569100
1-[2-(Ethylthio)benzoyl]-4-(2-fluorophenyl)piperazine
CID 971995
[4-(4-Fluorophenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 1248999
(3-(Azepan-1-ylsulfonyl)phenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone
CID 1526385
1-(2-Fluorophenyl)-4-[3-(1-pyrrolidinylsulfonyl)benzoyl]piperazine
CID 1528128
3-(dimethylsulfamoyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]benzamide
CID 2526937
1-(4-Fluorophenyl)-4-{3-[(4-methyl-1-piperidinyl)sulfonyl]benzoyl}piperazine
CID 2953856

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide (CID 55342647) is 3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)N2CCSc3ccccc32)c1.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide?
The InChIKey is RPRNWFXGXVUYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S2/c1-3-21(4-2)27(24,25)14-9-10-16(20)15(13-14)19(23)22-11-12-26-18-8-6-5-7-17(18)22/h5-10,13H,3-4,11-12H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide?
3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide has a molecular weight of 408.52 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzothiazine-4-carbonyl)-N,N-diethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 55342647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).