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

C26H23N3O5S2 — CID 17052595

IUPAC4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H23N3O5S2/c1-19-7-5-6-10-25(19)29-36(33,34)24-17-15-21(16-18-24)27-26(30)20-11-13-22(14-12-20)28-35(31,32)23-8-3-2-4-9-23/h2-18,28-29H,1H3,(H,27,30)
InChIKeyKMKBTBVISVEWDR-UHFFFAOYSA-N
MW521.62 g/mol
LogP4.85
Rot. Bonds8

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

4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 17052595) has the molecular formula C26H23N3O5S2 and a molecular weight of 521.62 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID17052595
Molecular FormulaC26H23N3O5S2
Molecular Weight521.62 g/mol
Exact Mass521.11
IUPAC Name4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
SMILESCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H23N3O5S2/c1-19-7-5-6-10-25(19)29-36(33,34)24-17-15-21(16-18-24)27-26(30)20-11-13-22(14-12-20)28-35(31,32)23-8-3-2-4-9-23/h2-18,28-29H,1H3,(H,27,30)
InChIKeyKMKBTBVISVEWDR-UHFFFAOYSA-N
XLogP4.85
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.62
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9416298
N-(2-methylphenyl)-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 9342166
4-(benzenesulfonamido)-N-(2,3-dimethylphenyl)benzamide
CID 1252770
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
N-[4-(diethylamino)phenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27229309
N,N-diethyl-4-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 34542806
4-(benzenesulfonamido)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 19062739
4-[(2-methylphenyl)sulfamoyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 26643217
4-(benzenesulfonamido)-N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]benzamide
CID 126416723
N-[3-(benzenesulfonamido)-4-methylphenyl]-4-methylbenzamide
CID 55705717
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-phenylsulfanylethoxy)benzamide
CID 46771083

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide (CID 17052595) is 4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide is Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is KMKBTBVISVEWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5S2/c1-19-7-5-6-10-25(19)29-36(33,34)24-17-15-21(16-18-24)27-26(30)20-11-13-22(14-12-20)28-35(31,32)23-8-3-2-4-9-23/h2-18,28-29H,1H3,(H,27,30).
What are the key properties of 4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide?
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 521.62 g/mol, XLogP of 4.85, 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-[(2-methylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 17052595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).