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

C25H27ClN2O3S — CID 127039755

IUPAC3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C25H27ClN2O3S/c26-21-9-6-10-23(19-21)32(29,30)27-22-13-15-28(16-14-22)17-18-31-25-12-5-4-11-24(25)20-7-2-1-3-8-20/h1-12,19,22,27H,13-18H2
InChIKeyMSIBEULIAVFSHF-UHFFFAOYSA-N
MW471.02 g/mol
LogP4.83
Rot. Bonds8

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

3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 127039755) has the molecular formula C25H27ClN2O3S and a molecular weight of 471.02 g/mol. Its IUPAC name is 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID127039755
Molecular FormulaC25H27ClN2O3S
Molecular Weight471.02 g/mol
Exact Mass470.14
IUPAC Name3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C25H27ClN2O3S/c26-21-9-6-10-23(19-21)32(29,30)27-22-13-15-28(16-14-22)17-18-31-25-12-5-4-11-24(25)20-7-2-1-3-8-20/h1-12,19,22,27H,13-18H2
InChIKeyMSIBEULIAVFSHF-UHFFFAOYSA-N
XLogP4.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.02
LogP ≤ 54.83
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-[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
4-fluoro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
CID 71449641
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
5-chloro-N-[[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]methyl]thiophene-2-sulfonamide
CID 71454997
3-chloro-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
CID 71454998
3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 71455000

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (CID 127039755) is 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is MSIBEULIAVFSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O3S/c26-21-9-6-10-23(19-21)32(29,30)27-22-13-15-28(16-14-22)17-18-31-25-12-5-4-11-24(25)20-7-2-1-3-8-20/h1-12,19,22,27H,13-18H2.
What are the key properties of 3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
3-chloro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 471.02 g/mol, XLogP of 4.83, 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-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 127039755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).