2-amino-1-(benzenesulfonyl)ethanol

C8H11NO3S — CID 117037374

IUPAC2-amino-1-(benzenesulfonyl)ethanol
SMILESNCC(O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C8H11NO3S/c9-6-8(10)13(11,12)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
InChIKeyYHXUFYKSQOVJMJ-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.26
Rot. Bonds3

About 2-amino-1-(benzenesulfonyl)ethanol

2-amino-1-(benzenesulfonyl)ethanol (PubChem CID 117037374) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-amino-1-(benzenesulfonyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(benzenesulfonyl)ethanol
PubChem CID117037374
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name2-amino-1-(benzenesulfonyl)ethanol
SMILESNCC(O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C8H11NO3S/c9-6-8(10)13(11,12)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
InChIKeyYHXUFYKSQOVJMJ-UHFFFAOYSA-N
XLogP-0.26
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-bis(benzenesulfonyl)ethane-1,2-diol
CID 158874761
2-amino-1-(4-propan-2-yloxyphenyl)sulfonylethanol
CID 117037408
(2R)-2-(benzenesulfonyl)-2-phenylethanamine
CID 9161755
benzenesulfonyl(phenyl)methanol
CID 174895803
2,7-bis(benzenesulfonyl)octane-4,5-diol
CID 86168417
4-(benzenesulfonyl)pentan-2-ol
CID 12920591
2-(benzenesulfonyl)pentan-3-ol
CID 62918399
3-(benzenesulfonyl)-2-methylpropan-1-amine
CID 64698178
3-(benzenesulfonyl)heptan-4-ol
CID 62918058
2-(benzenesulfonyl)-2-thiophen-2-ylethanamine;hydrochloride
CID 20982711
(2R,3S)-3-(benzenesulfonyl)-5-methylhexan-2-ol
CID 100987335
1-(benzenesulfonyl)-1-chloropropan-2-ol
CID 70438780

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(benzenesulfonyl)ethanol?
The IUPAC name of 2-amino-1-(benzenesulfonyl)ethanol (CID 117037374) is 2-amino-1-(benzenesulfonyl)ethanol.
What is the SMILES notation for 2-amino-1-(benzenesulfonyl)ethanol?
The canonical SMILES for 2-amino-1-(benzenesulfonyl)ethanol is NCC(O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-amino-1-(benzenesulfonyl)ethanol?
The InChIKey is YHXUFYKSQOVJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c9-6-8(10)13(11,12)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2.
What are the key properties of 2-amino-1-(benzenesulfonyl)ethanol?
2-amino-1-(benzenesulfonyl)ethanol has a molecular weight of 201.25 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(benzenesulfonyl)ethanol is sourced from PubChem (CID 117037374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).