N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide

C20H22Cl2N2O4S — CID 4831895

IUPACN-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O4S/c1-2-20(25)23-18-13-17(29(26,27)24-8-4-3-5-9-24)6-7-19(18)28-16-11-14(21)10-15(22)12-16/h6-7,10-13H,2-5,8-9H2,1H3,(H,23,25)
InChIKeyBXRUFDYXTIOJAF-UHFFFAOYSA-N
MW457.38 g/mol
LogP5.31
Rot. Bonds6

About N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide

N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide (PubChem CID 4831895) has the molecular formula C20H22Cl2N2O4S and a molecular weight of 457.38 g/mol. Its IUPAC name is N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide
PubChem CID4831895
Molecular FormulaC20H22Cl2N2O4S
Molecular Weight457.38 g/mol
Exact Mass456.07
IUPAC NameN-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C20H22Cl2N2O4S/c1-2-20(25)23-18-13-17(29(26,27)24-8-4-3-5-9-24)6-7-19(18)28-16-11-14(21)10-15(22)12-16/h6-7,10-13H,2-5,8-9H2,1H3,(H,23,25)
InChIKeyBXRUFDYXTIOJAF-UHFFFAOYSA-N
XLogP5.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.38
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 27209925
N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)propanamide
CID 763228
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-3,5-dichlorobenzamide
CID 26206912
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51186069
2-(3,4-dichlorophenyl)-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4801115
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-methylbutanamide
CID 26265845
2-methyl-N-(2-phenoxy-5-piperidin-1-ylsulfonylphenyl)butanamide
CID 46511334
4-chloro-N-[3-(2-ethoxy-5-piperidin-1-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 26265706
1-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-3-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]urea
CID 167885350
[2-[5-(azepan-1-ylsulfonyl)-2-methoxyanilino]-2-oxoethyl] propanoate
CID 9015169
2,4-dichloro-N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 26265842

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide?
The IUPAC name of N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide (CID 4831895) is N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide.
What is the SMILES notation for N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide?
The canonical SMILES for N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide is CCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide?
The InChIKey is BXRUFDYXTIOJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4S/c1-2-20(25)23-18-13-17(29(26,27)24-8-4-3-5-9-24)6-7-19(18)28-16-11-14(21)10-15(22)12-16/h6-7,10-13H,2-5,8-9H2,1H3,(H,23,25).
What are the key properties of N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide?
N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide has a molecular weight of 457.38 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dichlorophenoxy)-5-piperidin-1-ylsulfonylphenyl]propanamide is sourced from PubChem (CID 4831895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).