3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide

C17H16FNO5S2 — CID 42363640

IUPAC3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H16FNO5S2/c18-15-6-1-2-7-16(15)19-17(20)12-4-3-5-13(10-12)26(23,24)14-8-9-25(21,22)11-14/h1-7,10,14H,8-9,11H2,(H,19,20)/t14-/m0/s1
InChIKeyCZHRAZDRCGLCMR-AWEZNQCLSA-N
MW397.45 g/mol
LogP2.04
Rot. Bonds4

About 3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide

3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide (PubChem CID 42363640) has the molecular formula C17H16FNO5S2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide
PubChem CID42363640
Molecular FormulaC17H16FNO5S2
Molecular Weight397.45 g/mol
Exact Mass397.05
IUPAC Name3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1
InChIInChI=1S/C17H16FNO5S2/c18-15-6-1-2-7-16(15)19-17(20)12-4-3-5-13(10-12)26(23,24)14-8-9-25(21,22)11-14/h1-7,10,14H,8-9,11H2,(H,19,20)/t14-/m0/s1
InChIKeyCZHRAZDRCGLCMR-AWEZNQCLSA-N
XLogP2.04
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide
CID 42362889
3-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 42363700
ethyl 2-[[3-[(3R)-1,1-dioxothiolan-3-yl]sulfonylbenzoyl]amino]benzoate
CID 42363956
3-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(4-methoxyphenyl)benzamide
CID 42363694
N-(2-chlorophenyl)-4-[(3R)-1,1-dioxothiolan-3-yl]sulfonylbenzamide
CID 42362901
5-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluoro-N-(2-methoxyphenyl)benzamide
CID 42364516
3-(cyclopentylsulfamoyl)-N-(2-fluorophenyl)benzamide
CID 109063181
N-(3-chlorophenyl)-5-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluorobenzamide
CID 42364505
[3-[(3R)-1,1-dioxothiolan-3-yl]sulfonylphenyl]-(4-phenylpiperazin-1-yl)methanone
CID 42363448
3-[(1,1-dioxothiolan-3-yl)sulfamoyl]-N-(2-propan-2-ylphenyl)benzamide
CID 22829683
5-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide
CID 42364271
N-(2-bromophenyl)-3-[(3R)-1,1-dioxothiolan-3-yl]sulfonylbenzenesulfonamide
CID 38996876

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide?
The IUPAC name of 3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide (CID 42363640) is 3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for 3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide?
The canonical SMILES for 3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide is O=C(Nc1ccccc1F)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1.
What is the InChIKey of 3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide?
The InChIKey is CZHRAZDRCGLCMR-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H16FNO5S2/c18-15-6-1-2-7-16(15)19-17(20)12-4-3-5-13(10-12)26(23,24)14-8-9-25(21,22)11-14/h1-7,10,14H,8-9,11H2,(H,19,20)/t14-/m0/s1.
What are the key properties of 3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide?
3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide has a molecular weight of 397.45 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 42363640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).