5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide

C10H11ClN2O2S — CID 107198794

IUPAC5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1SC1COC1
InChIInChI=1S/C10H11ClN2O2S/c11-8-2-5(12)1-7(10(13)14)9(8)16-6-3-15-4-6/h1-2,6H,3-4,12H2,(H2,13,14)
InChIKeyLBPXCGLSGRGTGK-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.51
Rot. Bonds3

About 5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide

5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide (PubChem CID 107198794) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide
PubChem CID107198794
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1SC1COC1
InChIInChI=1S/C10H11ClN2O2S/c11-8-2-5(12)1-7(10(13)14)9(8)16-6-3-15-4-6/h1-2,6H,3-4,12H2,(H2,13,14)
InChIKeyLBPXCGLSGRGTGK-UHFFFAOYSA-N
XLogP1.51
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(oxetan-3-ylsulfanyl)benzamide
CID 79327199
5-amino-2,3-dichlorobenzamide
CID 107183127
3,5-difluoro-4-(oxetan-3-ylsulfanyl)aniline
CID 79327262
5-amino-3-chloro-2-(2,5-dimethylphenyl)sulfanylbenzamide
CID 107198489
5-amino-2-butylsulfanyl-3-chlorobenzamide
CID 107198550
ethyl 2-(4-amino-2-carbamoyl-6-chlorophenyl)sulfanylacetate
CID 107198568
5-amino-3-chloro-2-(oxetan-3-yloxy)benzoic acid
CID 107198210
5-amino-3-chloro-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzamide
CID 107198513
5-amino-3-chloro-2-(cyclopropylamino)benzamide
CID 107192447
5-amino-3-chloro-2-(2-methoxyphenyl)sulfanylbenzamide
CID 107198624
5-amino-3-chloro-2-(3-methoxyphenyl)sulfanylbenzamide
CID 107198405
5-amino-3-chloro-2-(cycloheptylamino)benzamide
CID 107193767

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide?
The IUPAC name of 5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide (CID 107198794) is 5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide?
The canonical SMILES for 5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide is NC(=O)c1cc(N)cc(Cl)c1SC1COC1.
What is the InChIKey of 5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide?
The InChIKey is LBPXCGLSGRGTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c11-8-2-5(12)1-7(10(13)14)9(8)16-6-3-15-4-6/h1-2,6H,3-4,12H2,(H2,13,14).
What are the key properties of 5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide?
5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide has a molecular weight of 258.73 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(oxetan-3-ylsulfanyl)benzamide is sourced from PubChem (CID 107198794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).