3-(methylsulfamoylsulfanyl)benzamide

C8H10N2O3S2 — CID 119091765

IUPAC3-(methylsulfamoylsulfanyl)benzamide
SMILESCNS(=O)(=O)Sc1cccc(C(N)=O)c1
InChIInChI=1S/C8H10N2O3S2/c1-10-15(12,13)14-7-4-2-3-6(5-7)8(9)11/h2-5,10H,1H3,(H2,9,11)
InChIKeyUCXBZBLCMDPBKL-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.34
Rot. Bonds4

About 3-(methylsulfamoylsulfanyl)benzamide

3-(methylsulfamoylsulfanyl)benzamide (PubChem CID 119091765) has the molecular formula C8H10N2O3S2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(methylsulfamoylsulfanyl)benzamide.

Molecular Properties

Compound Name3-(methylsulfamoylsulfanyl)benzamide
PubChem CID119091765
Molecular FormulaC8H10N2O3S2
Molecular Weight246.31 g/mol
Exact Mass246.01
IUPAC Name3-(methylsulfamoylsulfanyl)benzamide
SMILESCNS(=O)(=O)Sc1cccc(C(N)=O)c1
InChIInChI=1S/C8H10N2O3S2/c1-10-15(12,13)14-7-4-2-3-6(5-7)8(9)11/h2-5,10H,1H3,(H2,9,11)
InChIKeyUCXBZBLCMDPBKL-UHFFFAOYSA-N
XLogP0.34
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(methylamino)benzamide
CID 18727714
3-(2-amino-2-oxoethyl)sulfanylbenzamide;ethane
CID 142545208
ethane;3-(methylamino)benzamide
CID 142071023
(3-carbamoylphenyl) thiocyanate
CID 172564118
3-(sulfamoylamino)benzamide
CID 57051238
3-(1-hydroxypropan-2-ylsulfamoyl)benzamide
CID 174892675
3-carbamoylbenzoic acid
CID 3014284
3-hydrazinylbenzamide;hydrochloride
CID 90487444
2-(3-methylsulfanylbenzoyl)benzoic acid
CID 91655850
CID 153486649
CID 153486649
3-(methanesulfinamido)benzamide
CID 169217991
3-methylbenzamide;2-methylpropane
CID 160767336

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfamoylsulfanyl)benzamide?
The IUPAC name of 3-(methylsulfamoylsulfanyl)benzamide (CID 119091765) is 3-(methylsulfamoylsulfanyl)benzamide.
What is the SMILES notation for 3-(methylsulfamoylsulfanyl)benzamide?
The canonical SMILES for 3-(methylsulfamoylsulfanyl)benzamide is CNS(=O)(=O)Sc1cccc(C(N)=O)c1.
What is the InChIKey of 3-(methylsulfamoylsulfanyl)benzamide?
The InChIKey is UCXBZBLCMDPBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S2/c1-10-15(12,13)14-7-4-2-3-6(5-7)8(9)11/h2-5,10H,1H3,(H2,9,11).
What are the key properties of 3-(methylsulfamoylsulfanyl)benzamide?
3-(methylsulfamoylsulfanyl)benzamide has a molecular weight of 246.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfamoylsulfanyl)benzamide is sourced from PubChem (CID 119091765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).