3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide

C29H29N3O6S2 — CID 126415722

IUPAC3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccc(C)cc4C)c3)cc2)cc1
InChIInChI=1S/C29H29N3O6S2/c1-19-5-16-27(21(3)17-19)32-40(36,37)28-18-22(7-6-20(28)2)29(33)30-23-10-14-26(15-11-23)39(34,35)31-24-8-12-25(38-4)13-9-24/h5-18,31-32H,1-4H3,(H,30,33)
InChIKeyHJEQPLFXMGLXJR-UHFFFAOYSA-N
MW579.70 g/mol
LogP5.47
Rot. Bonds9

About 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide

3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide (PubChem CID 126415722) has the molecular formula C29H29N3O6S2 and a molecular weight of 579.70 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
PubChem CID126415722
Molecular FormulaC29H29N3O6S2
Molecular Weight579.70 g/mol
Exact Mass579.15
IUPAC Name3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccc(C)cc4C)c3)cc2)cc1
InChIInChI=1S/C29H29N3O6S2/c1-19-5-16-27(21(3)17-19)32-40(36,37)28-18-22(7-6-20(28)2)29(33)30-23-10-14-26(15-11-23)39(34,35)31-24-8-12-25(38-4)13-9-24/h5-18,31-32H,1-4H3,(H,30,33)
InChIKeyHJEQPLFXMGLXJR-UHFFFAOYSA-N
XLogP5.47
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 55.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide with MolForge

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Related Compounds

methyl 4-[[3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 5173913
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodo-4-methylbenzamide
CID 3410606
N-(3,5-dimethylphenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3891119
N-(3,4-dimethylphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26593901
3-[(2,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-propan-2-ylphenyl)benzamide
CID 126388649
3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5095159
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
N-(3,4-dichlorophenyl)-3-[(2,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126415286
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-3-iodobenzamide
CID 98112403
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5131811
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide (CID 126415722) is 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide is COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccc(C)cc4C)c3)cc2)cc1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
The InChIKey is HJEQPLFXMGLXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O6S2/c1-19-5-16-27(21(3)17-19)32-40(36,37)28-18-22(7-6-20(28)2)29(33)30-23-10-14-26(15-11-23)39(34,35)31-24-8-12-25(38-4)13-9-24/h5-18,31-32H,1-4H3,(H,30,33).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide has a molecular weight of 579.70 g/mol, XLogP of 5.47, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 126415722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).