N-(2-methylsulfonylethyl)-4-sulfanylbenzamide

C10H13NO3S2 — CID 107023639

IUPACN-(2-methylsulfonylethyl)-4-sulfanylbenzamide
SMILESCS(=O)(=O)CCNC(=O)c1ccc(S)cc1
InChIInChI=1S/C10H13NO3S2/c1-16(13,14)7-6-11-10(12)8-2-4-9(15)5-3-8/h2-5,15H,6-7H2,1H3,(H,11,12)
InChIKeyOWVBOQUWHMCGSW-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.75
Rot. Bonds4

About N-(2-methylsulfonylethyl)-4-sulfanylbenzamide

N-(2-methylsulfonylethyl)-4-sulfanylbenzamide (PubChem CID 107023639) has the molecular formula C10H13NO3S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-methylsulfonylethyl)-4-sulfanylbenzamide.

Molecular Properties

Compound NameN-(2-methylsulfonylethyl)-4-sulfanylbenzamide
PubChem CID107023639
Molecular FormulaC10H13NO3S2
Molecular Weight259.35 g/mol
Exact Mass259.03
IUPAC NameN-(2-methylsulfonylethyl)-4-sulfanylbenzamide
SMILESCS(=O)(=O)CCNC(=O)c1ccc(S)cc1
InChIInChI=1S/C10H13NO3S2/c1-16(13,14)7-6-11-10(12)8-2-4-9(15)5-3-8/h2-5,15H,6-7H2,1H3,(H,11,12)
InChIKeyOWVBOQUWHMCGSW-UHFFFAOYSA-N
XLogP0.75
TPSA63.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(methylsulfamoyl)ethyl]-4-sulfanylbenzamide
CID 114175650
4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide
CID 54931961
4-amino-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 54932022
N-[2-(dimethylamino)ethyl]-4-sulfanylbenzamide
CID 107019569
4-amino-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 106332797
4-iodo-N-(3-methylsulfonylpropyl)benzamide
CID 47261727
4-fluoro-N-(3-methylsulfonylpropyl)benzamide
CID 60859209
N-(2-methylsulfonylethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60545524
N-decyl-4-sulfanylbenzamide
CID 107032455
3,5-dichloro-N-(2-methylsulfonylethyl)benzamide
CID 47230479
4-[2-(methylsulfamoyl)ethylcarbamoyl]benzoic acid
CID 106341777
4-hydrazinyl-3-methyl-N-(2-methylsulfonylethyl)benzamide
CID 63211458

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylethyl)-4-sulfanylbenzamide?
The IUPAC name of N-(2-methylsulfonylethyl)-4-sulfanylbenzamide (CID 107023639) is N-(2-methylsulfonylethyl)-4-sulfanylbenzamide.
What is the SMILES notation for N-(2-methylsulfonylethyl)-4-sulfanylbenzamide?
The canonical SMILES for N-(2-methylsulfonylethyl)-4-sulfanylbenzamide is CS(=O)(=O)CCNC(=O)c1ccc(S)cc1.
What is the InChIKey of N-(2-methylsulfonylethyl)-4-sulfanylbenzamide?
The InChIKey is OWVBOQUWHMCGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S2/c1-16(13,14)7-6-11-10(12)8-2-4-9(15)5-3-8/h2-5,15H,6-7H2,1H3,(H,11,12).
What are the key properties of N-(2-methylsulfonylethyl)-4-sulfanylbenzamide?
N-(2-methylsulfonylethyl)-4-sulfanylbenzamide has a molecular weight of 259.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylethyl)-4-sulfanylbenzamide is sourced from PubChem (CID 107023639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).