N-(2-aminoethyl)benzenesulfonamide

C8H12N2O2S — CID 12841745

IUPACN-(2-aminoethyl)benzenesulfonamide
SMILESNCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H12N2O2S/c9-6-7-10-13(11,12)8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
InChIKeyJVFJSUCEQDCCAH-UHFFFAOYSA-N
MW200.26 g/mol
LogP-0.08
Rot. Bonds4

About N-(2-aminoethyl)benzenesulfonamide

N-(2-aminoethyl)benzenesulfonamide (PubChem CID 12841745) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is N-(2-aminoethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)benzenesulfonamide
PubChem CID12841745
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC NameN-(2-aminoethyl)benzenesulfonamide
SMILESNCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C8H12N2O2S/c9-6-7-10-13(11,12)8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
InChIKeyJVFJSUCEQDCCAH-UHFFFAOYSA-N
XLogP-0.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)benzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)benzenesulfonamide (CID 12841745) is N-(2-aminoethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)benzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)benzenesulfonamide is NCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-aminoethyl)benzenesulfonamide?
The InChIKey is JVFJSUCEQDCCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c9-6-7-10-13(11,12)8-4-2-1-3-5-8/h1-5,10H,6-7,9H2.
What are the key properties of N-(2-aminoethyl)benzenesulfonamide?
N-(2-aminoethyl)benzenesulfonamide has a molecular weight of 200.26 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)benzenesulfonamide is sourced from PubChem (CID 12841745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).