N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide

C26H22ClN3O5S2 — CID 66863129

IUPACN-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H22ClN3O5S2/c27-20-10-14-23(15-11-20)37(34,35)30-25-9-5-4-8-24(25)26(31)29-21-12-16-22(17-13-21)36(32,33)28-18-19-6-2-1-3-7-19/h1-17,28,30H,18H2,(H,29,31)
InChIKeyJFHDXJVLMICUIU-UHFFFAOYSA-N
MW556.07 g/mol
LogP4.87
Rot. Bonds9

About N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide

N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide (PubChem CID 66863129) has the molecular formula C26H22ClN3O5S2 and a molecular weight of 556.07 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
PubChem CID66863129
Molecular FormulaC26H22ClN3O5S2
Molecular Weight556.07 g/mol
Exact Mass555.07
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H22ClN3O5S2/c27-20-10-14-23(15-11-20)37(34,35)30-25-9-5-4-8-24(25)26(31)29-21-12-16-22(17-13-21)36(32,33)28-18-19-6-2-1-3-7-19/h1-17,28,30H,18H2,(H,29,31)
InChIKeyJFHDXJVLMICUIU-UHFFFAOYSA-N
XLogP4.87
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.07
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
2-[(4-chlorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)benzamide
CID 44898447
2-chloro-5-[[2-[(4-chlorophenyl)carbamoyl]phenyl]sulfamoyl]benzoic acid
CID 10205135
N-(3-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 44898444
1-N,4-N-bis[4-(benzylsulfamoyl)phenyl]benzene-1,4-dicarboxamide
CID 4929117
2-[[2-[(4-chlorophenyl)sulfonylamino]benzoyl]amino]benzamide
CID 1325152
2-[(4-chlorophenyl)sulfonylamino]-N-(1,3-dioxoisoindol-5-yl)benzamide
CID 44898443
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615674
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
2-(benzenesulfonamido)-N-(3,4-difluorophenyl)benzamide
CID 126415100
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 35893819

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide (CID 66863129) is N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide is O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
The InChIKey is JFHDXJVLMICUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O5S2/c27-20-10-14-23(15-11-20)37(34,35)30-25-9-5-4-8-24(25)26(31)29-21-12-16-22(17-13-21)36(32,33)28-18-19-6-2-1-3-7-19/h1-17,28,30H,18H2,(H,29,31).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide?
N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide has a molecular weight of 556.07 g/mol, XLogP of 4.87, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylsulfamoyl)phenyl]-2-[(4-chlorophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 66863129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).