N-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide

C26H18Cl2N4O6S2 — CID 102339690

IUPACN-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)ccc1/N=N/c1ccc(Cl)cc1S(=O)(=O)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H18Cl2N4O6S2/c27-19-11-13-21(23(15-19)39(35,36)31-25(33)17-7-3-1-4-8-17)29-30-22-14-12-20(28)16-24(22)40(37,38)32-26(34)18-9-5-2-6-10-18/h1-16H,(H,31,33)(H,32,34)/b30-29+
InChIKeyLYWPWXGOFJBWLE-QVIHXGFCSA-N
MW617.49 g/mol
LogP5.65
Rot. Bonds8

About N-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide

N-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide (PubChem CID 102339690) has the molecular formula C26H18Cl2N4O6S2 and a molecular weight of 617.49 g/mol. Its IUPAC name is N-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide
PubChem CID102339690
Molecular FormulaC26H18Cl2N4O6S2
Molecular Weight617.49 g/mol
Exact Mass616.00
IUPAC NameN-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cc(Cl)ccc1/N=N/c1ccc(Cl)cc1S(=O)(=O)NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H18Cl2N4O6S2/c27-19-11-13-21(23(15-19)39(35,36)31-25(33)17-7-3-1-4-8-17)29-30-22-14-12-20(28)16-24(22)40(37,38)32-26(34)18-9-5-2-6-10-18/h1-16H,(H,31,33)(H,32,34)/b30-29+
InChIKeyLYWPWXGOFJBWLE-QVIHXGFCSA-N
XLogP5.65
TPSA151.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.49
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[5-chloro-2-[[4-chloro-2-[(2,2,2-trifluoroacetyl)sulfamoyl]phenyl]diazenyl]phenyl]sulfonyl-2,2,2-trifluoroacetamide
CID 102339688
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
4-chloro-N-(2-methylphenyl)sulfonylbenzamide
CID 139079289
3-(benzoylsulfamoyl)-2-chlorobenzoyl chloride
CID 175320389
[5-chloro-2-[(4-chlorophenyl)diazenyl]phenyl]-phenylmethanone
CID 102337066
methyl N-(2-benzoyl-4-chlorophenyl)benzenecarboximidate
CID 139227476
2-benzoyl-5-chlorobenzenesulfonyl chloride
CID 154105826
4-benzyl-N-(6-chloroquinolin-8-yl)sulfonylbenzamide
CID 166333595
N-(5-amino-2-methoxyphenyl)sulfonylbenzamide
CID 154261942
2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide
CID 11239298
2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one
CID 64644275
N-(benzenesulfonyl)-3,4-dichlorobenzamide
CID 47108670

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide?
The IUPAC name of N-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide (CID 102339690) is N-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide.
What is the SMILES notation for N-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide?
The canonical SMILES for N-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide is O=C(NS(=O)(=O)c1cc(Cl)ccc1/N=N/c1ccc(Cl)cc1S(=O)(=O)NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide?
The InChIKey is LYWPWXGOFJBWLE-QVIHXGFCSA-N. The full InChI is InChI=1S/C26H18Cl2N4O6S2/c27-19-11-13-21(23(15-19)39(35,36)31-25(33)17-7-3-1-4-8-17)29-30-22-14-12-20(28)16-24(22)40(37,38)32-26(34)18-9-5-2-6-10-18/h1-16H,(H,31,33)(H,32,34)/b30-29+.
What are the key properties of N-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide?
N-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide has a molecular weight of 617.49 g/mol, XLogP of 5.65, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(benzoylsulfamoyl)-4-chlorophenyl]diazenyl]-5-chlorophenyl]sulfonylbenzamide is sourced from PubChem (CID 102339690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).