4-(1-aminoethyl)benzenesulfonamide

C8H12N2O2S — CID 3689755

IUPAC4-(1-aminoethyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H12N2O2S/c1-6(9)7-2-4-8(5-3-7)13(10,11)12/h2-6H,9H2,1H3,(H2,10,11,12)
InChIKeyYIGSCEUQIQKFPL-UHFFFAOYSA-N
MW200.26 g/mol
LogP0.35
Rot. Bonds2

About 4-(1-aminoethyl)benzenesulfonamide

4-(1-aminoethyl)benzenesulfonamide (PubChem CID 3689755) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 4-(1-aminoethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)benzenesulfonamide
PubChem CID3689755
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name4-(1-aminoethyl)benzenesulfonamide
SMILESCC(N)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C8H12N2O2S/c1-6(9)7-2-4-8(5-3-7)13(10,11)12/h2-6H,9H2,1H3,(H2,10,11,12)
InChIKeyYIGSCEUQIQKFPL-UHFFFAOYSA-N
XLogP0.35
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)benzenesulfonamide (CID 3689755) is 4-(1-aminoethyl)benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)benzenesulfonamide is CC(N)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(1-aminoethyl)benzenesulfonamide?
The InChIKey is YIGSCEUQIQKFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-6(9)7-2-4-8(5-3-7)13(10,11)12/h2-6H,9H2,1H3,(H2,10,11,12).
What are the key properties of 4-(1-aminoethyl)benzenesulfonamide?
4-(1-aminoethyl)benzenesulfonamide has a molecular weight of 200.26 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)benzenesulfonamide is sourced from PubChem (CID 3689755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).