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

C12H12N2O3S2 — CID 7295292

IUPAC4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H12N2O3S2/c1-2-19(16,17)10-5-3-9(4-6-10)11(15)14-12-13-7-8-18-12/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyPJZSDTWVDPKHTN-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.19
Rot. Bonds4

About 4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide

4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 7295292) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
PubChem CID7295292
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
SMILESCCS(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C12H12N2O3S2/c1-2-19(16,17)10-5-3-9(4-6-10)11(15)14-12-13-7-8-18-12/h3-8H,2H2,1H3,(H,13,14,15)
InChIKeyPJZSDTWVDPKHTN-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-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615469
4-[cyclopentyl(methyl)sulfamoyl]-N-(1,3-thiazol-2-yl)benzamide
CID 7656045
2-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 7295168
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 2358996
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 42580746
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(1,3-thiazol-2-yl)benzamide
CID 5207549
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
4-(cyclohexylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 652627
4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 16651068
4-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
CID 762358
4-ethylsulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 22581447
2-chloro-5-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]benzamide
CID 55602065

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide (CID 7295292) is 4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is CCS(=O)(=O)c1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is PJZSDTWVDPKHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-2-19(16,17)10-5-3-9(4-6-10)11(15)14-12-13-7-8-18-12/h3-8H,2H2,1H3,(H,13,14,15).
What are the key properties of 4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide?
4-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 4-ethylsulfonyl-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 7295292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).