N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide

C20H22Cl2N2O4S — CID 55690364

IUPACN-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22Cl2N2O4S/c1-14(28-18-9-5-8-17(21)19(18)22)20(25)24-12-10-15(11-13-24)23-29(26,27)16-6-3-2-4-7-16/h2-9,14-15,23H,10-13H2,1H3
InChIKeyVJKZAOOMKUALRH-UHFFFAOYSA-N
MW457.38 g/mol
LogP3.73
Rot. Bonds6

About N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide

N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 55690364) has the molecular formula C20H22Cl2N2O4S and a molecular weight of 457.38 g/mol. Its IUPAC name is N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
PubChem CID55690364
Molecular FormulaC20H22Cl2N2O4S
Molecular Weight457.38 g/mol
Exact Mass456.07
IUPAC NameN-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
SMILESCC(Oc1cccc(Cl)c1Cl)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C20H22Cl2N2O4S/c1-14(28-18-9-5-8-17(21)19(18)22)20(25)24-12-10-15(11-13-24)23-29(26,27)16-6-3-2-4-7-16/h2-9,14-15,23H,10-13H2,1H3
InChIKeyVJKZAOOMKUALRH-UHFFFAOYSA-N
XLogP3.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565261
N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55504753
4-methoxy-N-[1-(2-phenoxypropanoyl)piperidin-4-yl]benzenesulfonamide
CID 50823767
N-[1-[2-(3,4-dichlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 55850395
2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43417497
4-fluoro-N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 60511292
N-[1-(2-amino-3-methoxypropanoyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 120984468
N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 94091187
methyl 1-[2-(2-chlorophenoxy)propanoyl]pyrrolidine-3-carboxylate
CID 112733832
(3S,4S)-1-[2-(2,3-dichlorophenoxy)propanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953063
N-[1-(2-methoxyacetyl)piperidin-4-yl]benzenesulfonamide
CID 33295550
N-[1-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperidin-4-yl]benzenesulfonamide
CID 33162332

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide (CID 55690364) is N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide is CC(Oc1cccc(Cl)c1Cl)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is VJKZAOOMKUALRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4S/c1-14(28-18-9-5-8-17(21)19(18)22)20(25)24-12-10-15(11-13-24)23-29(26,27)16-6-3-2-4-7-16/h2-9,14-15,23H,10-13H2,1H3.
What are the key properties of N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 457.38 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3-dichlorophenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 55690364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).