4-(4-aminophenyl)sulfanylbenzamide

C13H12N2OS — CID 68503795

IUPAC4-(4-aminophenyl)sulfanylbenzamide
SMILESNC(=O)c1ccc(Sc2ccc(N)cc2)cc1
InChIInChI=1S/C13H12N2OS/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,14H2,(H2,15,16)
InChIKeyDSQVEWARMCDQET-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.52
Rot. Bonds3

About 4-(4-aminophenyl)sulfanylbenzamide

4-(4-aminophenyl)sulfanylbenzamide (PubChem CID 68503795) has the molecular formula C13H12N2OS and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfanylbenzamide.

Molecular Properties

Compound Name4-(4-aminophenyl)sulfanylbenzamide
PubChem CID68503795
Molecular FormulaC13H12N2OS
Molecular Weight244.32 g/mol
Exact Mass244.07
IUPAC Name4-(4-aminophenyl)sulfanylbenzamide
SMILESNC(=O)c1ccc(Sc2ccc(N)cc2)cc1
InChIInChI=1S/C13H12N2OS/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,14H2,(H2,15,16)
InChIKeyDSQVEWARMCDQET-UHFFFAOYSA-N
XLogP2.52
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-aminobenzamide;methanol
CID 144801245
4-(4-aminophenyl)sulfanylaniline
CID 8765
4-aminosulfanylbenzamide
CID 22301586
4-(4-aminophenyl)sulfanyl-N,N-dimethylbenzamide
CID 137364510
4-(4-aminophenyl)sulfanylaniline;pentahydrofluoride
CID 172767370
3,5-bis[(4-aminophenyl)sulfanyl]benzoic acid
CID 134319397
3-N,3-N-bis[4-(4-aminophenyl)sulfanylphenyl]-5-hydroxybenzene-1,3-dicarboxamide
CID 19832579
4-(4-aminophenyl)sulfanylphenol
CID 22026416
potassium;benzene-1,4-dicarboxamide;hydride
CID 174539787
4-(4-aminophenyl)sulfanylbenzene-1,2-diamine
CID 10130826
3-amino-4-(4-aminophenyl)sulfanylbenzoic acid
CID 91880002
(4-carbamoylphenyl) thiocyanate
CID 88720257

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)sulfanylbenzamide?
The IUPAC name of 4-(4-aminophenyl)sulfanylbenzamide (CID 68503795) is 4-(4-aminophenyl)sulfanylbenzamide.
What is the SMILES notation for 4-(4-aminophenyl)sulfanylbenzamide?
The canonical SMILES for 4-(4-aminophenyl)sulfanylbenzamide is NC(=O)c1ccc(Sc2ccc(N)cc2)cc1.
What is the InChIKey of 4-(4-aminophenyl)sulfanylbenzamide?
The InChIKey is DSQVEWARMCDQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2OS/c14-10-3-7-12(8-4-10)17-11-5-1-9(2-6-11)13(15)16/h1-8H,14H2,(H2,15,16).
What are the key properties of 4-(4-aminophenyl)sulfanylbenzamide?
4-(4-aminophenyl)sulfanylbenzamide has a molecular weight of 244.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)sulfanylbenzamide is sourced from PubChem (CID 68503795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).