4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide

C26H25Cl2N3O6S — CID 24986737

IUPAC4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(O)CC1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H25Cl2N3O6S/c27-18-7-10-23(21(28)15-18)37-24-4-2-1-3-22(24)30-38(35,36)20-8-5-17(6-9-20)26(34)29-16-25(33)31-13-11-19(32)12-14-31/h1-10,15,19,30,32H,11-14,16H2,(H,29,34)
InChIKeyOXWVGLRDQMDMBM-UHFFFAOYSA-N
MW578.47 g/mol
LogP4.30
Rot. Bonds8

About 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide

4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide (PubChem CID 24986737) has the molecular formula C26H25Cl2N3O6S and a molecular weight of 578.47 g/mol. Its IUPAC name is 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
PubChem CID24986737
Molecular FormulaC26H25Cl2N3O6S
Molecular Weight578.47 g/mol
Exact Mass577.08
IUPAC Name4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(O)CC1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C26H25Cl2N3O6S/c27-18-7-10-23(21(28)15-18)37-24-4-2-1-3-22(24)30-38(35,36)20-8-5-17(6-9-20)26(34)29-16-25(33)31-13-11-19(32)12-14-31/h1-10,15,19,30,32H,11-14,16H2,(H,29,34)
InChIKeyOXWVGLRDQMDMBM-UHFFFAOYSA-N
XLogP4.30
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.47
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 24987450
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]benzamide;hydrochloride
CID 24987823
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]benzamide
CID 24900968
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide
CID 142791325
CID 87619783
CID 87619783
N-[2-(2,4-dichlorophenoxy)phenyl]-4-[4-(3-pyrrolidin-1-ylpropyl)piperazine-1-carbonyl]benzenesulfonamide
CID 68531485
4-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 43391762
N-[2-[[4-[(diaminomethylideneamino)methyl]phenyl]methylamino]-2-oxoethyl]-4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]benzamide
CID 24900842
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24986738
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46525069
4-[(2-benzoylphenyl)sulfamoyl]-N-[2-[4-(2-hydroxyethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 24988556
4-[(2-benzoylphenyl)sulfamoyl]-N-[2-(4-cyanopiperidin-1-yl)-2-oxoethyl]benzamide
CID 24988195

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide (CID 24986737) is 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCC(O)CC1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is OXWVGLRDQMDMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O6S/c27-18-7-10-23(21(28)15-18)37-24-4-2-1-3-22(24)30-38(35,36)20-8-5-17(6-9-20)26(34)29-16-25(33)31-13-11-19(32)12-14-31/h1-10,15,19,30,32H,11-14,16H2,(H,29,34).
What are the key properties of 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide?
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 578.47 g/mol, XLogP of 4.30, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 24986737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).