1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide

C17H24N2O3S — CID 17409519

IUPAC1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H24N2O3S/c18-17(20)16-7-4-12-19(16)23(21,22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h8-11,13,16H,1-7,12H2,(H2,18,20)
InChIKeyUBWDYEKVPBXARB-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.37
Rot. Bonds4

About 1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide

1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 17409519) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID17409519
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C17H24N2O3S/c18-17(20)16-7-4-12-19(16)23(21,22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h8-11,13,16H,1-7,12H2,(H2,18,20)
InChIKeyUBWDYEKVPBXARB-UHFFFAOYSA-N
XLogP2.37
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 17409519) is 1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide is NC(=O)C1CCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is UBWDYEKVPBXARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c18-17(20)16-7-4-12-19(16)23(21,22)15-10-8-14(9-11-15)13-5-2-1-3-6-13/h8-11,13,16H,1-7,12H2,(H2,18,20).
What are the key properties of 1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide?
1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 17409519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).