3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

C15H23ClN2O2S — CID 16887516

IUPAC3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-12(2)18-8-6-13(7-9-18)11-17-21(19,20)15-5-3-4-14(16)10-15/h3-5,10,12-13,17H,6-9,11H2,1-2H3
InChIKeyIVVTWYPXGDCLLF-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.74
Rot. Bonds5

About 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide

3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (PubChem CID 16887516) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
PubChem CID16887516
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
SMILESCC(C)N1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H23ClN2O2S/c1-12(2)18-8-6-13(7-9-18)11-17-21(19,20)15-5-3-4-14(16)10-15/h3-5,10,12-13,17H,6-9,11H2,1-2H3
InChIKeyIVVTWYPXGDCLLF-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide 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 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide (CID 16887516) is 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is CC(C)N1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
The InChIKey is IVVTWYPXGDCLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-12(2)18-8-6-13(7-9-18)11-17-21(19,20)15-5-3-4-14(16)10-15/h3-5,10,12-13,17H,6-9,11H2,1-2H3.
What are the key properties of 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide?
3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide has a molecular weight of 330.88 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16887516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).