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

C17H15N3O3S2 — CID 1027541

IUPAC2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H15N3O3S2/c1-12-4-2-3-5-15(12)16(21)19-13-6-8-14(9-7-13)25(22,23)20-17-18-10-11-24-17/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyMULMTWPLJRJBOD-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.50
Rot. Bonds5

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

2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1027541) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1027541
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Name2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide
SMILESCc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H15N3O3S2/c1-12-4-2-3-5-15(12)16(21)19-13-6-8-14(9-7-13)25(22,23)20-17-18-10-11-24-17/h2-11H,1H3,(H,18,20)(H,19,21)
InChIKeyMULMTWPLJRJBOD-UHFFFAOYSA-N
XLogP3.50
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide (CID 1027541) is 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is MULMTWPLJRJBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-12-4-2-3-5-15(12)16(21)19-13-6-8-14(9-7-13)25(22,23)20-17-18-10-11-24-17/h2-11H,1H3,(H,18,20)(H,19,21).
What are the key properties of 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide?
2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1027541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).