4-aminosulfanylbenzamide

C7H8N2OS — CID 22301586

IUPAC4-aminosulfanylbenzamide
SMILESNSc1ccc(C(N)=O)cc1
InChIInChI=1S/C7H8N2OS/c8-7(10)5-1-3-6(11-9)4-2-5/h1-4H,9H2,(H2,8,10)
InChIKeyOGYGWVWAIXGMNL-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.75
Rot. Bonds2

About 4-aminosulfanylbenzamide

4-aminosulfanylbenzamide (PubChem CID 22301586) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 4-aminosulfanylbenzamide.

Molecular Properties

Compound Name4-aminosulfanylbenzamide
PubChem CID22301586
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name4-aminosulfanylbenzamide
SMILESNSc1ccc(C(N)=O)cc1
InChIInChI=1S/C7H8N2OS/c8-7(10)5-1-3-6(11-9)4-2-5/h1-4H,9H2,(H2,8,10)
InChIKeyOGYGWVWAIXGMNL-UHFFFAOYSA-N
XLogP0.75
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
4-(4-aminophenyl)sulfanylbenzamide
CID 68503795
1-(4-aminosulfanylphenyl)ethanone;ethane
CID 142198565
(4-carbamoylphenyl) thiocyanate
CID 88720257
(4-aminosulfanylphenyl)-phenylmethanone
CID 174353142
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
fluorobenzene;4-methylsulfanylbenzamide
CID 143044718
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-aminobenzamide;methanol
CID 144801245
4-[2-(4-carbamoylphenyl)ethyl]benzamide
CID 14507735
4-(2-fluoropropylsulfanyl)benzamide
CID 155718332

Frequently Asked Questions

What is the IUPAC name of 4-aminosulfanylbenzamide?
The IUPAC name of 4-aminosulfanylbenzamide (CID 22301586) is 4-aminosulfanylbenzamide.
What is the SMILES notation for 4-aminosulfanylbenzamide?
The canonical SMILES for 4-aminosulfanylbenzamide is NSc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-aminosulfanylbenzamide?
The InChIKey is OGYGWVWAIXGMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c8-7(10)5-1-3-6(11-9)4-2-5/h1-4H,9H2,(H2,8,10).
What are the key properties of 4-aminosulfanylbenzamide?
4-aminosulfanylbenzamide has a molecular weight of 168.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminosulfanylbenzamide is sourced from PubChem (CID 22301586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).