N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide

C15H18Cl2N2O3S — CID 3157090

IUPACN-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O3S/c16-11-1-4-13(17)14(9-11)23(21,22)19-7-5-10(6-8-19)15(20)18-12-2-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,18,20)
InChIKeyIOHVLISPWVRZBL-UHFFFAOYSA-N
MW377.29 g/mol
LogP2.67
Rot. Bonds4

About N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide

N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 3157090) has the molecular formula C15H18Cl2N2O3S and a molecular weight of 377.29 g/mol. Its IUPAC name is N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID3157090
Molecular FormulaC15H18Cl2N2O3S
Molecular Weight377.29 g/mol
Exact Mass376.04
IUPAC NameN-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H18Cl2N2O3S/c16-11-1-4-13(17)14(9-11)23(21,22)19-7-5-10(6-8-19)15(20)18-12-2-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,18,20)
InChIKeyIOHVLISPWVRZBL-UHFFFAOYSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide (CID 3157090) is N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is IOHVLISPWVRZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3S/c16-11-1-4-13(17)14(9-11)23(21,22)19-7-5-10(6-8-19)15(20)18-12-2-3-12/h1,4,9-10,12H,2-3,5-8H2,(H,18,20).
What are the key properties of N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide?
N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 377.29 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2,5-dichlorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 3157090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).