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

C30H31N3O5S2 — CID 126414918

IUPAC3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccc(C)c(C)c4)c3)cc2)cc1C
InChIInChI=1S/C30H31N3O5S2/c1-19-7-10-26(16-22(19)4)32-39(35,36)28-14-12-25(13-15-28)31-30(34)24-9-6-21(3)29(18-24)40(37,38)33-27-11-8-20(2)23(5)17-27/h6-18,32-33H,1-5H3,(H,31,34)
InChIKeyOFKXNUIIMYWJBO-UHFFFAOYSA-N
MW577.73 g/mol
LogP6.08
Rot. Bonds8

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

3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide (PubChem CID 126414918) has the molecular formula C30H31N3O5S2 and a molecular weight of 577.73 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
PubChem CID126414918
Molecular FormulaC30H31N3O5S2
Molecular Weight577.73 g/mol
Exact Mass577.17
IUPAC Name3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccc(C)c(C)c4)c3)cc2)cc1C
InChIInChI=1S/C30H31N3O5S2/c1-19-7-10-26(16-22(19)4)32-39(35,36)28-14-12-25(13-15-28)31-30(34)24-9-6-21(3)29(18-24)40(37,38)33-27-11-8-20(2)23(5)17-27/h6-18,32-33H,1-5H3,(H,31,34)
InChIKeyOFKXNUIIMYWJBO-UHFFFAOYSA-N
XLogP6.08
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 56.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126415351
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1310856
3-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940243
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 46763644
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-(methylsulfamoyl)benzamide
CID 31307957
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3484763
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
4-[[3-[(4-bromophenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoate
CID 6982972
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 126415688
N-(2-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 1241946

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide (CID 126414918) is 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide is Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(S(=O)(=O)Nc4ccc(C)c(C)c4)c3)cc2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
The InChIKey is OFKXNUIIMYWJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O5S2/c1-19-7-10-26(16-22(19)4)32-39(35,36)28-14-12-25(13-15-28)31-30(34)24-9-6-21(3)29(18-24)40(37,38)33-27-11-8-20(2)23(5)17-27/h6-18,32-33H,1-5H3,(H,31,34).
What are the key properties of 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide?
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide has a molecular weight of 577.73 g/mol, XLogP of 6.08, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 126414918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).