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

C22H29ClN2O3S — CID 127040760

IUPAC3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H29ClN2O3S/c1-17(2)21-8-3-4-9-22(21)28-15-14-25-12-10-19(11-13-25)24-29(26,27)20-7-5-6-18(23)16-20/h3-9,16-17,19,24H,10-15H2,1-2H3
InChIKeyZAEZTUIAQVOOCZ-UHFFFAOYSA-N
MW437.01 g/mol
LogP4.29
Rot. Bonds8

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

3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 127040760) has the molecular formula C22H29ClN2O3S and a molecular weight of 437.01 g/mol. Its IUPAC name is 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID127040760
Molecular FormulaC22H29ClN2O3S
Molecular Weight437.01 g/mol
Exact Mass436.16
IUPAC Name3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C22H29ClN2O3S/c1-17(2)21-8-3-4-9-22(21)28-15-14-25-12-10-19(11-13-25)24-29(26,27)20-7-5-6-18(23)16-20/h3-9,16-17,19,24H,10-15H2,1-2H3
InChIKeyZAEZTUIAQVOOCZ-UHFFFAOYSA-N
XLogP4.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.01
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[8-[2-(3-propan-2-ylphenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]benzenesulfonamide
CID 127025243
4-fluoro-N-[1-[3-(2-propan-2-ylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
CID 145974189
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
N-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 32354149
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]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (CID 127040760) is 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is CC(C)c1ccccc1OCCN1CCC(NS(=O)(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is ZAEZTUIAQVOOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O3S/c1-17(2)21-8-3-4-9-22(21)28-15-14-25-12-10-19(11-13-25)24-29(26,27)20-7-5-6-18(23)16-20/h3-9,16-17,19,24H,10-15H2,1-2H3.
What are the key properties of 3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
3-chloro-N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 437.01 g/mol, XLogP of 4.29, 8 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]benzenesulfonamide is sourced from PubChem (CID 127040760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).