1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide

C17H16ClFN2O3S — CID 5128943

IUPAC1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClFN2O3S/c18-12-7-9-13(10-8-12)25(23,24)21-11-3-6-16(21)17(22)20-15-5-2-1-4-14(15)19/h1-2,4-5,7-10,16H,3,6,11H2,(H,20,22)
InChIKeyKUKZDTPDVJOZNY-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.27
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 5128943) has the molecular formula C17H16ClFN2O3S and a molecular weight of 382.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID5128943
Molecular FormulaC17H16ClFN2O3S
Molecular Weight382.84 g/mol
Exact Mass382.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1F)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClFN2O3S/c18-12-7-9-13(10-8-12)25(23,24)21-11-3-6-16(21)17(22)20-15-5-2-1-4-14(15)19/h1-2,4-5,7-10,16H,3,6,11H2,(H,20,22)
InChIKeyKUKZDTPDVJOZNY-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide (CID 5128943) is 1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1ccccc1F)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is KUKZDTPDVJOZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN2O3S/c18-12-7-9-13(10-8-12)25(23,24)21-11-3-6-16(21)17(22)20-15-5-2-1-4-14(15)19/h1-2,4-5,7-10,16H,3,6,11H2,(H,20,22).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 382.84 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(2-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 5128943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).