3-amino-4-ethylsulfanylbenzenesulfonamide

C8H12N2O2S2 — CID 43153489

IUPAC3-amino-4-ethylsulfanylbenzenesulfonamide
SMILESCCSc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C8H12N2O2S2/c1-2-13-8-4-3-6(5-7(8)9)14(10,11)12/h3-5H,2,9H2,1H3,(H2,10,11,12)
InChIKeyORQOVYONJPFQHM-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.03
Rot. Bonds3

About 3-amino-4-ethylsulfanylbenzenesulfonamide

3-amino-4-ethylsulfanylbenzenesulfonamide (PubChem CID 43153489) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-4-ethylsulfanylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-ethylsulfanylbenzenesulfonamide
PubChem CID43153489
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Name3-amino-4-ethylsulfanylbenzenesulfonamide
SMILESCCSc1ccc(S(N)(=O)=O)cc1N
InChIInChI=1S/C8H12N2O2S2/c1-2-13-8-4-3-6(5-7(8)9)14(10,11)12/h3-5H,2,9H2,1H3,(H2,10,11,12)
InChIKeyORQOVYONJPFQHM-UHFFFAOYSA-N
XLogP1.03
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.03
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

methyl 3-(2-amino-4-sulfamoylphenyl)sulfanylpropanoate
CID 43617667
4-amino-3-propylsulfanylbenzenesulfonamide
CID 82899949
5-chloro-2-ethylsulfanylaniline;hydrochloride
CID 17381710
5-methylsulfonyl-2-pentylsulfanylaniline
CID 107747722
2-amino-3-ethylsulfanylbenzenesulfonamide
CID 112675163
2-ethylsulfanyl-5-ethynylaniline
CID 118042785
2-ethylsulfanyl-5-phenylaniline
CID 68787727
3-amino-4-(3-methoxyphenyl)sulfanylbenzenesulfonamide
CID 43331004
3-amino-4-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 54954455
3-amino-4-sulfanylbenzenesulfonamide
CID 43298928
sodium 2-amino-4-sulfamoylphenolate
CID 102504170
3-amino-4-(hydroxymethyl)benzenesulfonamide
CID 67323774

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethylsulfanylbenzenesulfonamide?
The IUPAC name of 3-amino-4-ethylsulfanylbenzenesulfonamide (CID 43153489) is 3-amino-4-ethylsulfanylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-ethylsulfanylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-ethylsulfanylbenzenesulfonamide is CCSc1ccc(S(N)(=O)=O)cc1N.
What is the InChIKey of 3-amino-4-ethylsulfanylbenzenesulfonamide?
The InChIKey is ORQOVYONJPFQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-2-13-8-4-3-6(5-7(8)9)14(10,11)12/h3-5H,2,9H2,1H3,(H2,10,11,12).
What are the key properties of 3-amino-4-ethylsulfanylbenzenesulfonamide?
3-amino-4-ethylsulfanylbenzenesulfonamide has a molecular weight of 232.33 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethylsulfanylbenzenesulfonamide is sourced from PubChem (CID 43153489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).