2-amino-2-(4-chlorophenyl)sulfonylethanol

C8H10ClNO3S — CID 117037336

IUPAC2-amino-2-(4-chlorophenyl)sulfonylethanol
SMILESNC(CO)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO3S/c9-6-1-3-7(4-2-6)14(12,13)8(10)5-11/h1-4,8,11H,5,10H2
InChIKeyKYTSDMALRHTDQZ-UHFFFAOYSA-N
MW235.69 g/mol
LogP0.39
Rot. Bonds3

About 2-amino-2-(4-chlorophenyl)sulfonylethanol

2-amino-2-(4-chlorophenyl)sulfonylethanol (PubChem CID 117037336) has the molecular formula C8H10ClNO3S and a molecular weight of 235.69 g/mol. Its IUPAC name is 2-amino-2-(4-chlorophenyl)sulfonylethanol.

Molecular Properties

Compound Name2-amino-2-(4-chlorophenyl)sulfonylethanol
PubChem CID117037336
Molecular FormulaC8H10ClNO3S
Molecular Weight235.69 g/mol
Exact Mass235.01
IUPAC Name2-amino-2-(4-chlorophenyl)sulfonylethanol
SMILESNC(CO)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C8H10ClNO3S/c9-6-1-3-7(4-2-6)14(12,13)8(10)5-11/h1-4,8,11H,5,10H2
InChIKeyKYTSDMALRHTDQZ-UHFFFAOYSA-N
XLogP0.39
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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benzene;4-chlorobenzenesulfonic acid
CID 159988924
1-[bis(benzenesulfonyl)methylsulfonyl]-4-chlorobenzene
CID 18790965
[(4-chlorophenyl)sulfonyl-hydroxymethyl]phosphonic acid
CID 67640023
3-(4-chlorophenyl)sulfonyl-4,4,4-trifluorobutan-1-amine
CID 64697153
(4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
CID 146209273
6-(4-chlorophenyl)sulfonylhept-3-en-2-one
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CID 15130541

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-chlorophenyl)sulfonylethanol?
The IUPAC name of 2-amino-2-(4-chlorophenyl)sulfonylethanol (CID 117037336) is 2-amino-2-(4-chlorophenyl)sulfonylethanol.
What is the SMILES notation for 2-amino-2-(4-chlorophenyl)sulfonylethanol?
The canonical SMILES for 2-amino-2-(4-chlorophenyl)sulfonylethanol is NC(CO)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-2-(4-chlorophenyl)sulfonylethanol?
The InChIKey is KYTSDMALRHTDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO3S/c9-6-1-3-7(4-2-6)14(12,13)8(10)5-11/h1-4,8,11H,5,10H2.
What are the key properties of 2-amino-2-(4-chlorophenyl)sulfonylethanol?
2-amino-2-(4-chlorophenyl)sulfonylethanol has a molecular weight of 235.69 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-chlorophenyl)sulfonylethanol is sourced from PubChem (CID 117037336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).