3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide

C17H15N3O3S2 — CID 2115997

IUPAC3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C17H15N3O3S2/c1-20(14-7-3-2-4-8-14)25(22,23)15-9-5-6-13(12-15)16(21)19-17-18-10-11-24-17/h2-12H,1H3,(H,18,19,21)
InChIKeyIJZUECFQVHNKPT-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.22
Rot. Bonds5

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

3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 2115997) has the molecular formula C17H15N3O3S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID2115997
Molecular FormulaC17H15N3O3S2
Molecular Weight373.46 g/mol
Exact Mass373.06
IUPAC Name3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1
InChIInChI=1S/C17H15N3O3S2/c1-20(14-7-3-2-4-8-14)25(22,23)15-9-5-6-13(12-15)16(21)19-17-18-10-11-24-17/h2-12H,1H3,(H,18,19,21)
InChIKeyIJZUECFQVHNKPT-UHFFFAOYSA-N
XLogP3.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrrolidin-1-yl)benzamide
CID 2519269
N-2-Thiazolylbenzamide
CID 569547
4-amino-N-(1,3-thiazol-2-yl)benzamide
CID 225470
2,2-Diphenyl-N-(4-(1,3-thiazol-2-ylsulfamoyl)phenyl)acetamide
CID 998021
4-Methyl-N-(1,3-thiazol-2-yl)benzamide
CID 576955
N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 5329385
Benzamide, 4-[(3,3-dimethyl-1-oxobutyl)amino]-3,5-difluoro-N-2-thiazolyl-
CID 16122818
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
CID 8762613
4-[methyl(phenylsulfonyl)amino]-N-1,3-thiazol-2-ylbenzamide
CID 1309992
4-[(4-chlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 1336667
2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide
CID 162369728
4-(dimethylamino)-N-(thiazol-2-yl)benzamide
CID 2463677

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide (CID 2115997) is 3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1.
What is the InChIKey of 3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is IJZUECFQVHNKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S2/c1-20(14-7-3-2-4-8-14)25(22,23)15-9-5-6-13(12-15)16(21)19-17-18-10-11-24-17/h2-12H,1H3,(H,18,19,21).
What are the key properties of 3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide?
3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 373.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(phenyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2115997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).