2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide

C16H13FN2O3S2 — CID 7578610

IUPAC2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C16H13FN2O3S2/c1-2-24(21,22)14-6-4-3-5-11(14)15(20)19-16-18-12-8-7-10(17)9-13(12)23-16/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyGYSBGCDHLUEDPI-UHFFFAOYSA-N
MW364.42 g/mol
LogP3.48
Rot. Bonds4

About 2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide

2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (PubChem CID 7578610) has the molecular formula C16H13FN2O3S2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
PubChem CID7578610
Molecular FormulaC16H13FN2O3S2
Molecular Weight364.42 g/mol
Exact Mass364.04
IUPAC Name2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(F)cc2s1
InChIInChI=1S/C16H13FN2O3S2/c1-2-24(21,22)14-6-4-3-5-11(14)15(20)19-16-18-12-8-7-10(17)9-13(12)23-16/h3-9H,2H2,1H3,(H,18,19,20)
InChIKeyGYSBGCDHLUEDPI-UHFFFAOYSA-N
XLogP3.48
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethylsulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7578603
2-butoxy-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 18854016
2-ethylsulfonyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 55625032
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 28543180
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7267001
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7578632
N-[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]-2-[[6-(diethylsulfamoyl)-1,3-benzothiazol-2-yl]sulfamoyl]benzamide
CID 4049160
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide
CID 4810483
N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(methylsulfonylmethyl)benzamide
CID 8006451
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide
CID 18577011
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 24625327
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3252476

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide (CID 7578610) is 2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(F)cc2s1.
What is the InChIKey of 2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is GYSBGCDHLUEDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3S2/c1-2-24(21,22)14-6-4-3-5-11(14)15(20)19-16-18-12-8-7-10(17)9-13(12)23-16/h3-9H,2H2,1H3,(H,18,19,20).
What are the key properties of 2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide?
2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 364.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 7578610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).