3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

C25H24N4O5S3 — CID 3474646

IUPAC3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1S(=O)(=O)Nc1cccc(C)c1C
InChIInChI=1S/C25H24N4O5S3/c1-16-5-4-6-22(18(16)3)28-37(33,34)23-15-19(8-7-17(23)2)24(30)27-20-9-11-21(12-10-20)36(31,32)29-25-26-13-14-35-25/h4-15,28H,1-3H3,(H,26,29)(H,27,30)
InChIKeyLATTVLXWWICOQZ-UHFFFAOYSA-N
MW556.69 g/mol
LogP4.92
Rot. Bonds8

About 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 3474646) has the molecular formula C25H24N4O5S3 and a molecular weight of 556.69 g/mol. Its IUPAC name is 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID3474646
Molecular FormulaC25H24N4O5S3
Molecular Weight556.69 g/mol
Exact Mass556.09
IUPAC Name3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1S(=O)(=O)Nc1cccc(C)c1C
InChIInChI=1S/C25H24N4O5S3/c1-16-5-4-6-22(18(16)3)28-37(33,34)23-15-19(8-7-17(23)2)24(30)27-20-9-11-21(12-10-20)36(31,32)29-25-26-13-14-35-25/h4-15,28H,1-3H3,(H,26,29)(H,27,30)
InChIKeyLATTVLXWWICOQZ-UHFFFAOYSA-N
XLogP4.92
TPSA134.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.69
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 126416977
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5131811
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3692029
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 3879264
3-chloro-4-(methanesulfonamido)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
CID 30391286
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]benzamide
CID 99942017
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 126412405
N-(5,6-dimethyl-3-pyridinyl)-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488160
4-chloro-3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-(naphthalen-1-ylsulfamoyl)phenyl]benzamide
CID 126414644
3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 126414918
3-bromo-4-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 3376197
3-iodo-4-methyl-N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 5229800

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 3474646) is 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1S(=O)(=O)Nc1cccc(C)c1C.
What is the InChIKey of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is LATTVLXWWICOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O5S3/c1-16-5-4-6-22(18(16)3)28-37(33,34)23-15-19(8-7-17(23)2)24(30)27-20-9-11-21(12-10-20)36(31,32)29-25-26-13-14-35-25/h4-15,28H,1-3H3,(H,26,29)(H,27,30).
What are the key properties of 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 556.69 g/mol, XLogP of 4.92, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 3474646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).