4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide

C17H16FNO5S2 — CID 42362889

IUPAC4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C17H16FNO5S2/c18-15-3-1-2-4-16(15)19-17(20)12-5-7-13(8-6-12)26(23,24)14-9-10-25(21,22)11-14/h1-8,14H,9-11H2,(H,19,20)/t14-/m1/s1
InChIKeyXGDZTBOFIBGLIF-CQSZACIVSA-N
MW397.45 g/mol
LogP2.04
Rot. Bonds4

About 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide

4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide (PubChem CID 42362889) has the molecular formula C17H16FNO5S2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide
PubChem CID42362889
Molecular FormulaC17H16FNO5S2
Molecular Weight397.45 g/mol
Exact Mass397.05
IUPAC Name4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C17H16FNO5S2/c18-15-3-1-2-4-16(15)19-17(20)12-5-7-13(8-6-12)26(23,24)14-9-10-25(21,22)11-14/h1-8,14H,9-11H2,(H,19,20)/t14-/m1/s1
InChIKeyXGDZTBOFIBGLIF-CQSZACIVSA-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

3-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide
CID 42363640
N-(2-chlorophenyl)-4-[(3R)-1,1-dioxothiolan-3-yl]sulfonylbenzamide
CID 42362901
4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 42362990
5-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluoro-N-(2-methoxyphenyl)benzamide
CID 42364516
4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(4-methoxyphenyl)benzamide
CID 42362945
N-(3-cyanophenyl)-4-[(3R)-1,1-dioxothiolan-3-yl]sulfonylbenzamide
CID 42363140
4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-methylpropyl)benzamide
CID 42362463
4-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 42362615
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
4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
CID 8780386
5-[(3S)-1,1-dioxothiolan-3-yl]sulfonyl-2-fluoro-N-(2-phenylethyl)benzamide
CID 42364271

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide?
The IUPAC name of 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide (CID 42362889) is 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide.
What is the SMILES notation for 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide?
The canonical SMILES for 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide is O=C(Nc1ccccc1F)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1.
What is the InChIKey of 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide?
The InChIKey is XGDZTBOFIBGLIF-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16FNO5S2/c18-15-3-1-2-4-16(15)19-17(20)12-5-7-13(8-6-12)26(23,24)14-9-10-25(21,22)11-14/h1-8,14H,9-11H2,(H,19,20)/t14-/m1/s1.
What are the key properties of 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide?
4-[(3R)-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 4-[(3R)-1,1-dioxothiolan-3-yl]sulfonyl-N-(2-fluorophenyl)benzamide is sourced from PubChem (CID 42362889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).