4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride

C32H32BrCl2N3O4S — CID 24900040

IUPAC4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride
SMILESCl.O=C(NCc1ccc(CC2CCNCC2)cc1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C32H31BrClN3O4S.ClH/c33-26-11-14-30(28(34)20-26)41-31-4-2-1-3-29(31)37-42(39,40)27-12-9-25(10-13-27)32(38)36-21-24-7-5-22(6-8-24)19-23-15-17-35-18-16-23;/h1-14,20,23,35,37H,15-19,21H2,(H,36,38);1H
InChIKeyRSLNMLJUHPSDLP-UHFFFAOYSA-N
MW705.50 g/mol
LogP7.59
Rot. Bonds10

About 4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride

4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride (PubChem CID 24900040) has the molecular formula C32H32BrCl2N3O4S and a molecular weight of 705.50 g/mol. Its IUPAC name is 4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride
PubChem CID24900040
Molecular FormulaC32H32BrCl2N3O4S
Molecular Weight705.50 g/mol
Exact Mass703.07
IUPAC Name4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride
SMILESCl.O=C(NCc1ccc(CC2CCNCC2)cc1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C32H31BrClN3O4S.ClH/c33-26-11-14-30(28(34)20-26)41-31-4-2-1-3-29(31)37-42(39,40)27-12-9-25(10-13-27)32(38)36-21-24-7-5-22(6-8-24)19-23-15-17-35-18-16-23;/h1-14,20,23,35,37H,15-19,21H2,(H,36,38);1H
InChIKeyRSLNMLJUHPSDLP-UHFFFAOYSA-N
XLogP7.59
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.50
LogP ≤ 57.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride with MolForge

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Related Compounds

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-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
2-[[4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]benzoyl]-[2-oxo-2-(2-piperidin-4-ylethylamino)ethyl]amino]acetic acid
CID 71251632
N-[2-[[4-[(diaminomethylideneamino)methyl]phenyl]methylamino]-2-oxoethyl]-4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]benzamide
CID 24900842
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 24986737
4-[(2-chlorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 9046795
N-benzyl-4-chloro-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 27670254
N-benzyl-4-[[(4-bromophenyl)sulfonylamino]methyl]benzamide
CID 15990884
4-[[2-(2,4-dichlorophenoxy)phenyl]sulfamoyl]-N-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]benzamide
CID 24900968
N-[(2S)-6-amino-1-oxo-1-(piperidin-4-ylmethylamino)hexan-2-yl]-4-[(2-phenoxyphenyl)sulfamoyl]benzamide
CID 87472420
N-[[4-(ethoxymethyl)phenyl]methyl]-4-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 30873016

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride?
The IUPAC name of 4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride (CID 24900040) is 4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride?
The canonical SMILES for 4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride is Cl.O=C(NCc1ccc(CC2CCNCC2)cc1)c1ccc(S(=O)(=O)Nc2ccccc2Oc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride?
The InChIKey is RSLNMLJUHPSDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31BrClN3O4S.ClH/c33-26-11-14-30(28(34)20-26)41-31-4-2-1-3-29(31)37-42(39,40)27-12-9-25(10-13-27)32(38)36-21-24-7-5-22(6-8-24)19-23-15-17-35-18-16-23;/h1-14,20,23,35,37H,15-19,21H2,(H,36,38);1H.
What are the key properties of 4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride?
4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride has a molecular weight of 705.50 g/mol, XLogP of 7.59, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-bromo-2-chlorophenoxy)phenyl]sulfamoyl]-N-[[4-(piperidin-4-ylmethyl)phenyl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 24900040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).