N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide

C25H19Cl2N3O5S2 — CID 4049236

IUPACN-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1Cl)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H19Cl2N3O5S2/c26-21-8-4-5-9-23(21)30-37(34,35)20-14-15-22(27)24(16-20)28-25(31)17-10-12-19(13-11-17)36(32,33)29-18-6-2-1-3-7-18/h1-16,29-30H,(H,28,31)
InChIKeyXIFCAJYQNRIYBL-UHFFFAOYSA-N
MW576.48 g/mol
LogP5.85
Rot. Bonds8

About N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide

N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide (PubChem CID 4049236) has the molecular formula C25H19Cl2N3O5S2 and a molecular weight of 576.48 g/mol. Its IUPAC name is N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide
PubChem CID4049236
Molecular FormulaC25H19Cl2N3O5S2
Molecular Weight576.48 g/mol
Exact Mass575.01
IUPAC NameN-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1Cl)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H19Cl2N3O5S2/c26-21-8-4-5-9-23(21)30-37(34,35)20-14-15-22(27)24(16-20)28-25(31)17-10-12-19(13-11-17)36(32,33)29-18-6-2-1-3-7-18/h1-16,29-30H,(H,28,31)
InChIKeyXIFCAJYQNRIYBL-UHFFFAOYSA-N
XLogP5.85
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.48
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-chlorophenyl)-4-(benzenesulfonamido)benzamide
CID 55981241
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(phenylsulfamoyl)benzamide
CID 19257338
4-chloro-N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfonylamino]benzamide
CID 30879902
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 5101960
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(trifluoromethyl)benzamide
CID 26593106
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
N-(2-chloro-5-methylsulfonylphenyl)benzamide
CID 8913636
N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide
CID 51545693
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 9414091
4-chloro-3-[(4-phenylbenzoyl)amino]benzenesulfonic acid
CID 139946841
N-(2-chlorophenyl)-4-iodobenzenesulfonamide
CID 47154415
N-(2-chlorophenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 9411412

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide (CID 4049236) is N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide is O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1Cl)c1ccc(S(=O)(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide?
The InChIKey is XIFCAJYQNRIYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl2N3O5S2/c26-21-8-4-5-9-23(21)30-37(34,35)20-14-15-22(27)24(16-20)28-25(31)17-10-12-19(13-11-17)36(32,33)29-18-6-2-1-3-7-18/h1-16,29-30H,(H,28,31).
What are the key properties of N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide?
N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide has a molecular weight of 576.48 g/mol, XLogP of 5.85, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[(2-chlorophenyl)sulfamoyl]phenyl]-4-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 4049236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).