4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide

C26H22ClN3O5S2 — CID 126416723

IUPAC4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)cc1Cl
InChIInChI=1S/C26H22ClN3O5S2/c1-18-7-10-22(17-25(18)27)30-37(34,35)24-15-13-20(14-16-24)28-26(31)19-8-11-21(12-9-19)29-36(32,33)23-5-3-2-4-6-23/h2-17,29-30H,1H3,(H,28,31)
InChIKeyVQULRHJFVLWWBV-UHFFFAOYSA-N
MW556.07 g/mol
LogP5.50
Rot. Bonds8

About 4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide

4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 126416723) has the molecular formula C26H22ClN3O5S2 and a molecular weight of 556.07 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID126416723
Molecular FormulaC26H22ClN3O5S2
Molecular Weight556.07 g/mol
Exact Mass555.07
IUPAC Name4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)cc1Cl
InChIInChI=1S/C26H22ClN3O5S2/c1-18-7-10-22(17-25(18)27)30-37(34,35)24-15-13-20(14-16-24)28-26(31)19-8-11-21(12-9-19)29-36(32,33)23-5-3-2-4-6-23/h2-17,29-30H,1H3,(H,28,31)
InChIKeyVQULRHJFVLWWBV-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-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-iodobenzamide
CID 3955566
3-(benzenesulfonamido)-N-(3-chloro-4-methylphenyl)benzamide
CID 9412716
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-4-[dimethylsulfamoyl(methyl)amino]benzamide
CID 18891082
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
4-chloro-N-(3-chloro-4-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3951767
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
N-(3-chloro-4-methylphenyl)-4-(methoxysulfamoyl)benzamide
CID 55704375
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide (CID 126416723) is 4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)cc1Cl.
What is the InChIKey of 4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is VQULRHJFVLWWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O5S2/c1-18-7-10-22(17-25(18)27)30-37(34,35)24-15-13-20(14-16-24)28-26(31)19-8-11-21(12-9-19)29-36(32,33)23-5-3-2-4-6-23/h2-17,29-30H,1H3,(H,28,31).
What are the key properties of 4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide?
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]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 4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 126416723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).