N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide

C16H23ClN2O3S — CID 1276459

IUPACN-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O3S/c1-16(2,3)18-15(20)12-8-10-19(11-9-12)23(21,22)14-6-4-13(17)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,18,20)
InChIKeyFLNVLBHUDUKABI-UHFFFAOYSA-N
MW358.89 g/mol
LogP2.66
Rot. Bonds3

About N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide

N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1276459) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1276459
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC NameN-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H23ClN2O3S/c1-16(2,3)18-15(20)12-8-10-19(11-9-12)23(21,22)14-6-4-13(17)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,18,20)
InChIKeyFLNVLBHUDUKABI-UHFFFAOYSA-N
XLogP2.66
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide (CID 1276459) is N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide is CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is FLNVLBHUDUKABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-16(2,3)18-15(20)12-8-10-19(11-9-12)23(21,22)14-6-4-13(17)5-7-14/h4-7,12H,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide?
N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 358.89 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1276459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).