3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride

C10H15ClN2O3S — CID 119960312

IUPAC3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
SMILESCC(=O)c1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C10H14N2O3S.ClH/c1-8(13)9-3-2-4-10(7-9)16(14,15)12-6-5-11;/h2-4,7,12H,5-6,11H2,1H3;1H
InChIKeyCJTUSFZXVNETPY-UHFFFAOYSA-N
MW278.76 g/mol
LogP0.55
Rot. Bonds5

About 3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride

3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride (PubChem CID 119960312) has the molecular formula C10H15ClN2O3S and a molecular weight of 278.76 g/mol. Its IUPAC name is 3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
PubChem CID119960312
Molecular FormulaC10H15ClN2O3S
Molecular Weight278.76 g/mol
Exact Mass278.05
IUPAC Name3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
SMILESCC(=O)c1cccc(S(=O)(=O)NCCN)c1.Cl
InChIInChI=1S/C10H14N2O3S.ClH/c1-8(13)9-3-2-4-10(7-9)16(14,15)12-6-5-11;/h2-4,7,12H,5-6,11H2,1H3;1H
InChIKeyCJTUSFZXVNETPY-UHFFFAOYSA-N
XLogP0.55
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
tert-butyl 3-(2-aminoethylsulfamoyl)benzoate
CID 167725813
3-acetyl-N-(2-ethoxyethyl)benzenesulfonamide
CID 43591526
N-(2-aminoethyl)-3-methylbenzenesulfonamide;hydrochloride
CID 119960152
3-acetyl-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 115638737
3-acetyl-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 110787259
3-acetyl-N-(2-amino-2-ethylbutyl)benzenesulfonamide
CID 84591289
3-acetyl-N-[3-(diethylamino)propyl]benzenesulfonamide
CID 9266391
3-acetyl-N-(3-hydroxy-4,4-dimethylpentyl)benzenesulfonamide
CID 90523494
3-acetyl-N-[2-(3,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 110787294
N-(2-aminoethyl)-3-(2-methoxyethylsulfamoyl)benzamide
CID 119382099

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride (CID 119960312) is 3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride is CC(=O)c1cccc(S(=O)(=O)NCCN)c1.Cl.
What is the InChIKey of 3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride?
The InChIKey is CJTUSFZXVNETPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S.ClH/c1-8(13)9-3-2-4-10(7-9)16(14,15)12-6-5-11;/h2-4,7,12H,5-6,11H2,1H3;1H.
What are the key properties of 3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride?
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride has a molecular weight of 278.76 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119960312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).