3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide

C23H31ClN2O3S — CID 71454998

IUPAC3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H31ClN2O3S/c1-18(2)22-8-3-4-9-23(22)29-15-14-26-12-10-19(11-13-26)17-25-30(27,28)21-7-5-6-20(24)16-21/h3-9,16,18-19,25H,10-15,17H2,1-2H3
InChIKeyQJBQEWSNFBPJMQ-UHFFFAOYSA-N
MW451.03 g/mol
LogP4.53
Rot. Bonds9

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

3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 71454998) has the molecular formula C23H31ClN2O3S and a molecular weight of 451.03 g/mol. Its IUPAC name is 3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID71454998
Molecular FormulaC23H31ClN2O3S
Molecular Weight451.03 g/mol
Exact Mass450.17
IUPAC Name3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C23H31ClN2O3S/c1-18(2)22-8-3-4-9-23(22)29-15-14-26-12-10-19(11-13-26)17-25-30(27,28)21-7-5-6-20(24)16-21/h3-9,16,18-19,25H,10-15,17H2,1-2H3
InChIKeyQJBQEWSNFBPJMQ-UHFFFAOYSA-N
XLogP4.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.03
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-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

Related Compounds

5-chloro-2-fluoro-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 11857793
4-fluoro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 71454999
4-fluoro-N-[1-[3-(2-propan-2-ylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
CID 145974189
{(2S)-2-(3-Chlorophenyl)-4-[4-(2-methoxyphenyl)piperidyl]butyl}methyl(phenylsulfonyl)amine
CID 478412
5-chloro-N-((1r,4r)-4-(4-(2-cyclopropoxyphenyl)piperidin-1-yl)cyclohexyl)-2-methoxybenzenesulfonamide
CID 11857710
5-chloro-N-((1r,4r)-4-(4-(2-cyclopropoxyphenyl)piperidin-1-yl)cyclohexyl)-2-fluorobenzenesulfonamide
CID 11857711
5-chloro-2-methoxy-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide
CID 11857792
2,5-dimethoxy-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
CID 71449549
4-fluoro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
CID 71449641
3-chloro-N-[[1-[2-(2-methylsulfanylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
CID 71451455
5-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 71453252
3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
CID 71453281

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide (CID 71454998) is 3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide is CC(C)c1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is QJBQEWSNFBPJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN2O3S/c1-18(2)22-8-3-4-9-23(22)29-15-14-26-12-10-19(11-13-26)17-25-30(27,28)21-7-5-6-20(24)16-21/h3-9,16,18-19,25H,10-15,17H2,1-2H3.
What are the key properties of 3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide?
3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 451.03 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 71454998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).