1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride

C10H14ClNO3S — CID 86775846

IUPAC1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(S(=O)(=O)CCN)cc1.Cl
InChIInChI=1S/C10H13NO3S.ClH/c1-8(12)9-2-4-10(5-3-9)15(13,14)7-6-11;/h2-5H,6-7,11H2,1H3;1H
InChIKeyDNPJBYUPPUVSDZ-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.04
Rot. Bonds4

About 1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride

1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride (PubChem CID 86775846) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride
PubChem CID86775846
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(S(=O)(=O)CCN)cc1.Cl
InChIInChI=1S/C10H13NO3S.ClH/c1-8(12)9-2-4-10(5-3-9)15(13,14)7-6-11;/h2-5H,6-7,11H2,1H3;1H
InChIKeyDNPJBYUPPUVSDZ-UHFFFAOYSA-N
XLogP1.04
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2-aminoethylsulfonyl)benzoate
CID 66688215
1-[5-(2-aminoethylsulfonyl)-3-pyridinyl]ethanone
CID 20802829
2-(4-acetylphenyl)sulfonylacetate
CID 23047728
1-[4-(2-morpholin-4-ylethylsulfonyl)phenyl]ethanone
CID 82165517
amino 4-acetylbenzenesulfonate
CID 174903574
4-(2-aminoethylsulfonyl)-N,N-diethylaniline
CID 84708887
4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
CID 158952098
N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 41273496
1-[4-[2-(3-methylphenoxy)ethylsulfonyl]phenyl]ethanone
CID 94780477
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895597
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-(4-tert-butylsulfonylphenyl)ethanone
CID 21402495

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride (CID 86775846) is 1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride is CC(=O)c1ccc(S(=O)(=O)CCN)cc1.Cl.
What is the InChIKey of 1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride?
The InChIKey is DNPJBYUPPUVSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S.ClH/c1-8(12)9-2-4-10(5-3-9)15(13,14)7-6-11;/h2-5H,6-7,11H2,1H3;1H.
What are the key properties of 1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride?
1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride has a molecular weight of 263.75 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-aminoethylsulfonyl)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 86775846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).