4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride

C25H25Cl3N4O5S — CID 24987450

IUPAC4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC(=O)N1CCNCC1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C25H24Cl2N4O5S.ClH/c26-18-7-10-22(20(27)15-18)36-23-4-2-1-3-21(23)30-37(34,35)19-8-5-17(6-9-19)25(33)29-16-24(32)31-13-11-28-12-14-31;/h1-10,15,28,30H,11-14,16H2,(H,29,33);1H
InChIKeyBRIJNAGGDDPKCH-UHFFFAOYSA-N
MW599.92 g/mol
LogP4.17
Rot. Bonds8

About 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride

4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride (PubChem CID 24987450) has the molecular formula C25H25Cl3N4O5S and a molecular weight of 599.92 g/mol. Its IUPAC name is 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
PubChem CID24987450
Molecular FormulaC25H25Cl3N4O5S
Molecular Weight599.92 g/mol
Exact Mass598.06
IUPAC Name4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC(=O)N1CCNCC1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C25H24Cl2N4O5S.ClH/c26-18-7-10-22(20(27)15-18)36-23-4-2-1-3-21(23)30-37(34,35)19-8-5-17(6-9-19)25(33)29-16-24(32)31-13-11-28-12-14-31;/h1-10,15,28,30H,11-14,16H2,(H,29,33);1H
InChIKeyBRIJNAGGDDPKCH-UHFFFAOYSA-N
XLogP4.17
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.92
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 24986737
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(3-oxo-5-piperidin-4-ylpentyl)benzamide
CID 142791325
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]benzamide
CID 24900968
CID 87619783
CID 87619783
N-[2-(2,4-dichlorophenoxy)phenyl]-4-[4-(3-pyrrolidin-1-ylpropyl)piperazine-1-carbonyl]benzenesulfonamide
CID 68531485
N-[2-[[4-[(diaminomethylideneamino)methyl]phenyl]methylamino]-2-oxoethyl]-4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]benzamide
CID 24900842
4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride
CID 24900040
4-[(4-bromo-2-chlorophenoxy)-phenylsulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 87504158
2-[[4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]amino]acetic acid
CID 71251632
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 46525069
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-2-oxoethyl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 24986738

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride (CID 24987450) is 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride is Cl.O=C(NCC(=O)N1CCNCC1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
The InChIKey is BRIJNAGGDDPKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O5S.ClH/c26-18-7-10-22(20(27)15-18)36-23-4-2-1-3-21(23)30-37(34,35)19-8-5-17(6-9-19)25(33)29-16-24(32)31-13-11-28-12-14-31;/h1-10,15,28,30H,11-14,16H2,(H,29,33);1H.
What are the key properties of 4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride?
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride has a molecular weight of 599.92 g/mol, XLogP of 4.17, 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-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 24987450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).