4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide

C17H16ClFN2O3S — CID 2704875

IUPAC4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H16ClFN2O3S/c18-15-8-3-12(17(22)20-14-6-4-13(19)5-7-14)11-16(15)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyCJHOSRKIMVEYTJ-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.52
Rot. Bonds4

About 4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide

4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2704875) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is 4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2704875
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC Name4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C17H16ClFN2O3S/c18-15-8-3-12(17(22)20-14-6-4-13(19)5-7-14)11-16(15)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22)
InChIKeyCJHOSRKIMVEYTJ-UHFFFAOYSA-N
XLogP3.52
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26594011
N-(4-acetamidophenyl)-4-chloro-3-piperidin-1-ylsulfonylbenzamide
CID 2583012
3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679596
4-chloro-N-(2-chloro-4-fluorophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 26693077
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 24640372
4-chloro-N-(3,5-dimethylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2710139
3-(azepan-1-ylsulfonyl)-N-(2-bromo-4-fluorophenyl)-4-chlorobenzamide
CID 55796442
4-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 30857697
4-chloro-N-[4-(dimethylsulfamoyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55339394
4-chloro-N-(3,5-dimethylphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2683305
3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 26375346
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2704617

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 2704875) is 4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is CJHOSRKIMVEYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c18-15-8-3-12(17(22)20-14-6-4-13(19)5-7-14)11-16(15)25(23,24)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2,(H,20,22).
What are the key properties of 4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide?
4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 382.84 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluorophenyl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2704875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).