N-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C17H23FN2O3S — CID 3219574

IUPACN-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O3S/c18-13-8-10-15(11-9-13)24(22,23)20-12-4-7-16(20)17(21)19-14-5-2-1-3-6-14/h8-11,14,16H,1-7,12H2,(H,19,21)
InChIKeyIFCFRLHMQBQEIP-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.43
Rot. Bonds4

About N-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

N-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 3219574) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID3219574
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC NameN-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H23FN2O3S/c18-13-8-10-15(11-9-13)24(22,23)20-12-4-7-16(20)17(21)19-14-5-2-1-3-6-14/h8-11,14,16H,1-7,12H2,(H,19,21)
InChIKeyIFCFRLHMQBQEIP-UHFFFAOYSA-N
XLogP2.43
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 3219574) is N-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(NC1CCCCC1)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is IFCFRLHMQBQEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c18-13-8-10-15(11-9-13)24(22,23)20-12-4-7-16(20)17(21)19-14-5-2-1-3-6-14/h8-11,14,16H,1-7,12H2,(H,19,21).
What are the key properties of N-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 3219574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).