1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide

C15H19ClN2O3S — CID 856925

IUPAC1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O3S/c16-12-1-5-14(6-2-12)22(20,21)18-9-7-11(8-10-18)15(19)17-13-3-4-13/h1-2,5-6,11,13H,3-4,7-10H2,(H,17,19)
InChIKeyTVKMWXBDIXOHDL-UHFFFAOYSA-N
MW342.85 g/mol
LogP2.02
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide

1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 856925) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
PubChem CID856925
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H19ClN2O3S/c16-12-1-5-14(6-2-12)22(20,21)18-9-7-11(8-10-18)15(19)17-13-3-4-13/h1-2,5-6,11,13H,3-4,7-10H2,(H,17,19)
InChIKeyTVKMWXBDIXOHDL-UHFFFAOYSA-N
XLogP2.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.02
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-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide (CID 856925) is 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is TVKMWXBDIXOHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c16-12-1-5-14(6-2-12)22(20,21)18-9-7-11(8-10-18)15(19)17-13-3-4-13/h1-2,5-6,11,13H,3-4,7-10H2,(H,17,19).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 342.85 g/mol, XLogP of 2.02, 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-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 856925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).