2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

C18H17N3O5S3 — CID 4852017

IUPAC2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H17N3O5S3/c1-12-3-6-15(28(2,23)24)11-16(12)17(22)20-13-4-7-14(8-5-13)29(25,26)21-18-19-9-10-27-18/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyVFTYTCIKHHWBJX-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.91
Rot. Bonds6

About 2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide

2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 4852017) has the molecular formula C18H17N3O5S3 and a molecular weight of 451.55 g/mol. Its IUPAC name is 2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID4852017
Molecular FormulaC18H17N3O5S3
Molecular Weight451.55 g/mol
Exact Mass451.03
IUPAC Name2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H17N3O5S3/c1-12-3-6-15(28(2,23)24)11-16(12)17(22)20-13-4-7-14(8-5-13)29(25,26)21-18-19-9-10-27-18/h3-11H,1-2H3,(H,19,21)(H,20,22)
InChIKeyVFTYTCIKHHWBJX-UHFFFAOYSA-N
XLogP2.91
TPSA122.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 4852017) is 2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is VFTYTCIKHHWBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S3/c1-12-3-6-15(28(2,23)24)11-16(12)17(22)20-13-4-7-14(8-5-13)29(25,26)21-18-19-9-10-27-18/h3-11H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-methylsulfonyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 4852017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).