2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

C12H12N2O3S2 — CID 7295168

IUPAC2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C12H12N2O3S2/c1-2-19(16,17)10-6-4-3-5-9(10)11(15)14-12-13-7-8-18-12/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyWVNWVQZOONEZCV-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.19
Rot. Bonds4

About 2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 7295168) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID7295168
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)Nc1nccs1
InChIInChI=1S/C12H12N2O3S2/c1-2-19(16,17)10-6-4-3-5-9(10)11(15)14-12-13-7-8-18-12/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyWVNWVQZOONEZCV-UHFFFAOYSA-N
XLogP2.19
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295292
2-ethylsulfonyl-N-(2-methylpyrimidin-4-yl)benzamide
CID 91642997
2-(2-methylpentanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17358961
2-[(2-methylpropan-2-yl)oxy]-N-(1,3-thiazol-2-yl)benzamide
CID 110464702
N-(3-cyanothiophen-2-yl)-2-ethylsulfonylbenzamide
CID 7578700
2-[tert-butyl(hydroxy)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 22320712
2-(propan-2-ylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 63107522
2-ethylsulfonyl-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 24621136
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-2-ethylsulfonylbenzamide
CID 18577011
2-ethylsulfonyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 7578632
2-ethylsulfonyl-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 18576995
2-ethylsulfonyl-N-(4-methylphenyl)benzamide
CID 17414707

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 7295168) is 2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is CCS(=O)(=O)c1ccccc1C(=O)Nc1nccs1.
What is the InChIKey of 2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is WVNWVQZOONEZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-2-19(16,17)10-6-4-3-5-9(10)11(15)14-12-13-7-8-18-12/h3-8H,2H2,1H3,(H,13,14,15).
What are the key properties of 2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 296.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 7295168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).