2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

C26H23N3O6S2 — CID 126414109

IUPAC2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H23N3O6S2/c1-35-21-15-11-20(12-16-21)28-36(31,32)23-17-13-19(14-18-23)27-26(30)24-9-5-6-10-25(24)29-37(33,34)22-7-3-2-4-8-22/h2-18,28-29H,1H3,(H,27,30)
InChIKeyQVFMWUVWYQSECH-UHFFFAOYSA-N
MW537.62 g/mol
LogP4.55
Rot. Bonds9

About 2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide

2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 126414109) has the molecular formula C26H23N3O6S2 and a molecular weight of 537.62 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
PubChem CID126414109
Molecular FormulaC26H23N3O6S2
Molecular Weight537.62 g/mol
Exact Mass537.10
IUPAC Name2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H23N3O6S2/c1-35-21-15-11-20(12-16-21)28-36(31,32)23-17-13-19(14-18-23)27-26(30)24-9-5-6-10-25(24)29-37(33,34)22-7-3-2-4-8-22/h2-18,28-29H,1H3,(H,27,30)
InChIKeyQVFMWUVWYQSECH-UHFFFAOYSA-N
XLogP4.55
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.62
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 1226628
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 18229347
N-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)sulfonylamino]benzamide
CID 30286393
2-[(2,6-difluorophenyl)sulfonylamino]-N-(4-methoxyphenyl)benzamide
CID 29425469
2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
CID 4233924
2-(benzenesulfonamido)-N-(4-chlorophenyl)benzamide
CID 1243115
4-(benzenesulfonamido)-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415575
3-(benzenesulfonamido)-N-(4-methoxyphenyl)thiophene-2-carboxamide
CID 10178357
N-(4-iodophenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 126385456
4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43885917
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide (CID 126414109) is 2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is QVFMWUVWYQSECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O6S2/c1-35-21-15-11-20(12-16-21)28-36(31,32)23-17-13-19(14-18-23)27-26(30)24-9-5-6-10-25(24)29-37(33,34)22-7-3-2-4-8-22/h2-18,28-29H,1H3,(H,27,30).
What are the key properties of 2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide?
2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 537.62 g/mol, XLogP of 4.55, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 126414109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).