2-amino-3-ethylsulfanylbenzenesulfonamide

C8H12N2O2S2 — CID 112675163

IUPAC2-amino-3-ethylsulfanylbenzenesulfonamide
SMILESCCSc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C8H12N2O2S2/c1-2-13-6-4-3-5-7(8(6)9)14(10,11)12/h3-5H,2,9H2,1H3,(H2,10,11,12)
InChIKeyODJRUBMMGMVXCF-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.03
Rot. Bonds3

About 2-amino-3-ethylsulfanylbenzenesulfonamide

2-amino-3-ethylsulfanylbenzenesulfonamide (PubChem CID 112675163) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-amino-3-ethylsulfanylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-ethylsulfanylbenzenesulfonamide
PubChem CID112675163
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Name2-amino-3-ethylsulfanylbenzenesulfonamide
SMILESCCSc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C8H12N2O2S2/c1-2-13-6-4-3-5-7(8(6)9)14(10,11)12/h3-5H,2,9H2,1H3,(H2,10,11,12)
InChIKeyODJRUBMMGMVXCF-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-ethylsulfanylbenzenesulfonamide?
The IUPAC name of 2-amino-3-ethylsulfanylbenzenesulfonamide (CID 112675163) is 2-amino-3-ethylsulfanylbenzenesulfonamide.
What is the SMILES notation for 2-amino-3-ethylsulfanylbenzenesulfonamide?
The canonical SMILES for 2-amino-3-ethylsulfanylbenzenesulfonamide is CCSc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-ethylsulfanylbenzenesulfonamide?
The InChIKey is ODJRUBMMGMVXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c1-2-13-6-4-3-5-7(8(6)9)14(10,11)12/h3-5H,2,9H2,1H3,(H2,10,11,12).
What are the key properties of 2-amino-3-ethylsulfanylbenzenesulfonamide?
2-amino-3-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 2-amino-3-ethylsulfanylbenzenesulfonamide is sourced from PubChem (CID 112675163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).