3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide

C15H14N2O4S2 — CID 166664777

IUPAC3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide
SMILESCS(=O)(=O)c1ccccc1C1Sc2cc(C(N)=O)ccc2N1O
InChIInChI=1S/C15H14N2O4S2/c1-23(20,21)13-5-3-2-4-10(13)15-17(19)11-7-6-9(14(16)18)8-12(11)22-15/h2-8,15,19H,1H3,(H2,16,18)
InChIKeyRSNKREKZOFMFRO-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.19
Rot. Bonds3

About 3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide

3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide (PubChem CID 166664777) has the molecular formula C15H14N2O4S2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide
PubChem CID166664777
Molecular FormulaC15H14N2O4S2
Molecular Weight350.42 g/mol
Exact Mass350.04
IUPAC Name3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide
SMILESCS(=O)(=O)c1ccccc1C1Sc2cc(C(N)=O)ccc2N1O
InChIInChI=1S/C15H14N2O4S2/c1-23(20,21)13-5-3-2-4-10(13)15-17(19)11-7-6-9(14(16)18)8-12(11)22-15/h2-8,15,19H,1H3,(H2,16,18)
InChIKeyRSNKREKZOFMFRO-UHFFFAOYSA-N
XLogP2.19
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide (CID 166664777) is 3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide is CS(=O)(=O)c1ccccc1C1Sc2cc(C(N)=O)ccc2N1O.
What is the InChIKey of 3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide?
The InChIKey is RSNKREKZOFMFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S2/c1-23(20,21)13-5-3-2-4-10(13)15-17(19)11-7-6-9(14(16)18)8-12(11)22-15/h2-8,15,19H,1H3,(H2,16,18).
What are the key properties of 3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide?
3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-methylsulfonylphenyl)-2H-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 166664777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).