2-(2-aminoethyl)benzenesulfonamide

C8H12N2O2S — CID 63203655

IUPAC2-(2-aminoethyl)benzenesulfonamide
SMILESNCCc1ccccc1S(N)(=O)=O
InChIInChI=1S/C8H12N2O2S/c9-6-5-7-3-1-2-4-8(7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
InChIKeyXNMHWEWCCHMGDY-UHFFFAOYSA-N
MW200.26 g/mol
LogP-0.16
Rot. Bonds3

About 2-(2-aminoethyl)benzenesulfonamide

2-(2-aminoethyl)benzenesulfonamide (PubChem CID 63203655) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is 2-(2-aminoethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-aminoethyl)benzenesulfonamide
PubChem CID63203655
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Name2-(2-aminoethyl)benzenesulfonamide
SMILESNCCc1ccccc1S(N)(=O)=O
InChIInChI=1S/C8H12N2O2S/c9-6-5-7-3-1-2-4-8(7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
InChIKeyXNMHWEWCCHMGDY-UHFFFAOYSA-N
XLogP-0.16
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)benzenesulfonamide?
The IUPAC name of 2-(2-aminoethyl)benzenesulfonamide (CID 63203655) is 2-(2-aminoethyl)benzenesulfonamide.
What is the SMILES notation for 2-(2-aminoethyl)benzenesulfonamide?
The canonical SMILES for 2-(2-aminoethyl)benzenesulfonamide is NCCc1ccccc1S(N)(=O)=O.
What is the InChIKey of 2-(2-aminoethyl)benzenesulfonamide?
The InChIKey is XNMHWEWCCHMGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c9-6-5-7-3-1-2-4-8(7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12).
What are the key properties of 2-(2-aminoethyl)benzenesulfonamide?
2-(2-aminoethyl)benzenesulfonamide has a molecular weight of 200.26 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)benzenesulfonamide is sourced from PubChem (CID 63203655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).