4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C23H21FN2O4S — CID 92647831

IUPAC4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C23H21FN2O4S/c24-21-13-8-17(16-22(21)31(28,29)26-14-4-5-15-26)23(27)25-18-9-11-20(12-10-18)30-19-6-2-1-3-7-19/h1-3,6-13,16H,4-5,14-15H2,(H,25,27)
InChIKeyKCHBBEUQMBCFGT-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.65
Rot. Bonds6

About 4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide

4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 92647831) has the molecular formula C23H21FN2O4S and a molecular weight of 440.50 g/mol. Its IUPAC name is 4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID92647831
Molecular FormulaC23H21FN2O4S
Molecular Weight440.50 g/mol
Exact Mass440.12
IUPAC Name4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C23H21FN2O4S/c24-21-13-8-17(16-22(21)31(28,29)26-14-4-5-15-26)23(27)25-18-9-11-20(12-10-18)30-19-6-2-1-3-7-19/h1-3,6-13,16H,4-5,14-15H2,(H,25,27)
InChIKeyKCHBBEUQMBCFGT-UHFFFAOYSA-N
XLogP4.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylpiperazin-1-yl)sulfonyl-4-fluoro-N-(4-phenoxyphenyl)benzamide;hydrochloride
CID 126479373
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4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
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N-(3,5-difluorophenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
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4-fluoro-3-(4-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 27241778
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CID 26575157
4-fluoro-N-(3-methylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 3248945
N-(3-chloro-4-methoxyphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 26735927
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 23958771
N-(3-ethynylphenyl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 43042263
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 92647831) is 4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is KCHBBEUQMBCFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4S/c24-21-13-8-17(16-22(21)31(28,29)26-14-4-5-15-26)23(27)25-18-9-11-20(12-10-18)30-19-6-2-1-3-7-19/h1-3,6-13,16H,4-5,14-15H2,(H,25,27).
What are the key properties of 4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 440.50 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 92647831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).