N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

C15H12N2O3S2 — CID 694930

IUPACN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C15H12N2O3S2/c1-22(19,20)11-7-8-12-13(9-11)21-15(16-12)17-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)
InChIKeyFDDAVTCWWRLPFJ-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.95
Rot. Bonds3

About N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide

N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 694930) has the molecular formula C15H12N2O3S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID694930
Molecular FormulaC15H12N2O3S2
Molecular Weight332.41 g/mol
Exact Mass332.03
IUPAC NameN-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3)sc2c1
InChIInChI=1S/C15H12N2O3S2/c1-22(19,20)11-7-8-12-13(9-11)21-15(16-12)17-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18)
InChIKeyFDDAVTCWWRLPFJ-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

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Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide (CID 694930) is N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide is CS(=O)(=O)c1ccc2nc(NC(=O)c3ccccc3)sc2c1.
What is the InChIKey of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is FDDAVTCWWRLPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S2/c1-22(19,20)11-7-8-12-13(9-11)21-15(16-12)17-14(18)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide?
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide 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-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 694930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).