1-(4-chlorophenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide

C17H23ClN2O3S — CID 3154066

IUPAC1-(4-chlorophenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O3S/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)
InChIKeyJEUSQAQVJBAMBP-UHFFFAOYSA-N
MW370.90 g/mol
LogP2.94
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide (PubChem CID 3154066) has the molecular formula C17H23ClN2O3S and a molecular weight of 370.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
PubChem CID3154066
Molecular FormulaC17H23ClN2O3S
Molecular Weight370.90 g/mol
Exact Mass370.11
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide
SMILESO=C(NC1CCCCC1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H23ClN2O3S/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)
InChIKeyJEUSQAQVJBAMBP-UHFFFAOYSA-N
XLogP2.94
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
LogP ≤ 52.94
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-cyclohexylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide (CID 3154066) is 1-(4-chlorophenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide is O=C(NC1CCCCC1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide?
The InChIKey is JEUSQAQVJBAMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O3S/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 1-(4-chlorophenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-cyclohexylpyrrolidine-2-carboxamide has a molecular weight of 370.90 g/mol, XLogP of 2.94, 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-cyclohexylpyrrolidine-2-carboxamide is sourced from PubChem (CID 3154066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).