N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

C26H22ClN3O5S2 — CID 3918199

IUPACN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)cc2)cc1
InChIInChI=1S/C26H22ClN3O5S2/c1-18-5-13-24(14-6-18)36(32,33)29-22-9-7-19(8-10-22)26(31)28-21-11-15-25(16-12-21)37(34,35)30-23-4-2-3-20(27)17-23/h2-17,29-30H,1H3,(H,28,31)
InChIKeyJFPWEEBCBMQFDU-UHFFFAOYSA-N
MW556.07 g/mol
LogP5.50
Rot. Bonds8

About N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide

N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 3918199) has the molecular formula C26H22ClN3O5S2 and a molecular weight of 556.07 g/mol. Its IUPAC name is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID3918199
Molecular FormulaC26H22ClN3O5S2
Molecular Weight556.07 g/mol
Exact Mass555.07
IUPAC NameN-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)cc2)cc1
InChIInChI=1S/C26H22ClN3O5S2/c1-18-5-13-24(14-6-18)36(32,33)29-22-9-7-19(8-10-22)26(31)28-21-11-15-25(16-12-21)37(34,35)30-23-4-2-3-20(27)17-23/h2-17,29-30H,1H3,(H,28,31)
InChIKeyJFPWEEBCBMQFDU-UHFFFAOYSA-N
XLogP5.50
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.07
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 126414840
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-(3-chlorophenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 7553525
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[ethylsulfonyl(methyl)amino]benzamide
CID 21367810
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412707
3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940243
N-(3-chlorophenyl)-4-(methylsulfamoyl)benzamide
CID 34742954
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-propan-2-ylbenzamide
CID 3628664

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide (CID 3918199) is N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4cccc(Cl)c4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is JFPWEEBCBMQFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O5S2/c1-18-5-13-24(14-6-18)36(32,33)29-22-9-7-19(8-10-22)26(31)28-21-11-15-25(16-12-21)37(34,35)30-23-4-2-3-20(27)17-23/h2-17,29-30H,1H3,(H,28,31).
What are the key properties of N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide?
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 556.07 g/mol, XLogP of 5.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 3918199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).