2-(2-aminoethylsulfanyl)benzenesulfonamide

C8H12N2O2S2 — CID 154389901

IUPAC2-(2-aminoethylsulfanyl)benzenesulfonamide
SMILESNCCSc1ccccc1S(N)(=O)=O
InChIInChI=1S/C8H12N2O2S2/c9-5-6-13-7-3-1-2-4-8(7)14(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
InChIKeyLLDNIPWEKSAWMJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.38
Rot. Bonds4

About 2-(2-aminoethylsulfanyl)benzenesulfonamide

2-(2-aminoethylsulfanyl)benzenesulfonamide (PubChem CID 154389901) has the molecular formula C8H12N2O2S2 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(2-aminoethylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfanyl)benzenesulfonamide
PubChem CID154389901
Molecular FormulaC8H12N2O2S2
Molecular Weight232.33 g/mol
Exact Mass232.03
IUPAC Name2-(2-aminoethylsulfanyl)benzenesulfonamide
SMILESNCCSc1ccccc1S(N)(=O)=O
InChIInChI=1S/C8H12N2O2S2/c9-5-6-13-7-3-1-2-4-8(7)14(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
InChIKeyLLDNIPWEKSAWMJ-UHFFFAOYSA-N
XLogP0.38
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfanyl)benzenesulfonamide?
The IUPAC name of 2-(2-aminoethylsulfanyl)benzenesulfonamide (CID 154389901) is 2-(2-aminoethylsulfanyl)benzenesulfonamide.
What is the SMILES notation for 2-(2-aminoethylsulfanyl)benzenesulfonamide?
The canonical SMILES for 2-(2-aminoethylsulfanyl)benzenesulfonamide is NCCSc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(2-aminoethylsulfanyl)benzenesulfonamide?
The InChIKey is LLDNIPWEKSAWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S2/c9-5-6-13-7-3-1-2-4-8(7)14(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12).
What are the key properties of 2-(2-aminoethylsulfanyl)benzenesulfonamide?
2-(2-aminoethylsulfanyl)benzenesulfonamide has a molecular weight of 232.33 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 154389901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).