3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide

C17H17FN2O5S2 — CID 110166635

IUPAC3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C17H17FN2O5S2/c18-14-6-8-16(9-7-14)27(24,25)19-17(21)13-4-3-5-15(12-13)20-10-1-2-11-26(20,22)23/h3-9,12H,1-2,10-11H2,(H,19,21)
InChIKeyWFABFJWTEQIUOY-UHFFFAOYSA-N
MW412.46 g/mol
LogP1.87
Rot. Bonds4

About 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide

3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide (PubChem CID 110166635) has the molecular formula C17H17FN2O5S2 and a molecular weight of 412.46 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide
PubChem CID110166635
Molecular FormulaC17H17FN2O5S2
Molecular Weight412.46 g/mol
Exact Mass412.06
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cc1)c1cccc(N2CCCCS2(=O)=O)c1
InChIInChI=1S/C17H17FN2O5S2/c18-14-6-8-16(9-7-14)27(24,25)19-17(21)13-4-3-5-15(12-13)20-10-1-2-11-26(20,22)23/h3-9,12H,1-2,10-11H2,(H,19,21)
InChIKeyWFABFJWTEQIUOY-UHFFFAOYSA-N
XLogP1.87
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-(4-methylsulfonylphenyl)sulfonylbenzamide
CID 110166859
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55824238
[3-(1,1-dioxothiazinan-2-yl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 7499097
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
2-(3-fluorophenyl)thiazinane 1,1-dioxide
CID 82081520
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
3-(1,1-dioxothiazinan-2-yl)-N-(2-hydroxy-2-methylpropyl)benzamide
CID 110306771
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18134910
3-(1,1-dioxothiazinan-2-yl)-N-(2-methoxyphenyl)benzamide
CID 7686104
N-[2-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55972575

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide (CID 110166635) is 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(F)cc1)c1cccc(N2CCCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide?
The InChIKey is WFABFJWTEQIUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S2/c18-14-6-8-16(9-7-14)27(24,25)19-17(21)13-4-3-5-15(12-13)20-10-1-2-11-26(20,22)23/h3-9,12H,1-2,10-11H2,(H,19,21).
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide?
3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide has a molecular weight of 412.46 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide is sourced from PubChem (CID 110166635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).