N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide

C15H12N2O3S2 — CID 18585554

IUPACN-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc3scnc3c2)c1
InChIInChI=1S/C15H12N2O3S2/c1-22(19,20)12-4-2-3-10(7-12)15(18)17-11-5-6-14-13(8-11)16-9-21-14/h2-9H,1H3,(H,17,18)
InChIKeyAAOCQPOARBQQEV-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.95
Rot. Bonds3

About N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide

N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide (PubChem CID 18585554) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide
PubChem CID18585554
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC NameN-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cccc(C(=O)Nc2ccc3scnc3c2)c1
InChIInChI=1S/C15H12N2O3S2/c1-22(19,20)12-4-2-3-10(7-12)15(18)17-11-5-6-14-13(8-11)16-9-21-14/h2-9H,1H3,(H,17,18)
InChIKeyAAOCQPOARBQQEV-UHFFFAOYSA-N
XLogP2.95
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-5-carboxamide
CID 131934820
N-(1,3-benzothiazol-5-yl)-3-butoxybenzamide
CID 18585520
N-(1,3-benzothiazol-5-yl)-3,4,5-trimethoxybenzamide
CID 18585505
N-(3-bromo-4-fluorophenyl)-3-methylsulfonylbenzamide
CID 115661329
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735
3-methylsulfonyl-N-(4-sulfamoylphenyl)benzamide
CID 7565696
N-(1,3-benzothiazol-5-yl)-4-[ethyl(phenyl)sulfamoyl]benzamide
CID 18585536
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
3-methylsulfonyl-N-(2-thiophen-2-yl-3H-benzimidazol-5-yl)benzamide
CID 60587312
N-(1,3-benzothiazol-5-yl)-1,3-benzothiazole-2-carboxamide
CID 18585512
N-(1,3-benzothiazol-6-yl)-3-hydroxy-4-methylbenzamide
CID 103956522
N-[4-[(3-bromobenzoyl)amino]-2-methylphenyl]-3-methylsulfonylbenzamide
CID 46542213

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide (CID 18585554) is N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cccc(C(=O)Nc2ccc3scnc3c2)c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide?
The InChIKey is AAOCQPOARBQQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c1-22(19,20)12-4-2-3-10(7-12)15(18)17-11-5-6-14-13(8-11)16-9-21-14/h2-9H,1H3,(H,17,18).
What are the key properties of N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide?
N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide has a molecular weight of 332.41 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-3-methylsulfonylbenzamide is sourced from PubChem (CID 18585554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).