1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol

C10H14ClNO3S — CID 102550008

IUPAC1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol
SMILESCCS(=O)(=O)C(Cl)C(O)c1ccc(N)cc1
InChIInChI=1S/C10H14ClNO3S/c1-2-16(14,15)10(11)9(13)7-3-5-8(12)6-4-7/h3-6,9-10,13H,2,12H2,1H3
InChIKeyQQHHCROJCCIDFV-UHFFFAOYSA-N
MW263.75 g/mol
LogP1.30
Rot. Bonds4

About 1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol

1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol (PubChem CID 102550008) has the molecular formula C10H14ClNO3S and a molecular weight of 263.75 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol
PubChem CID102550008
Molecular FormulaC10H14ClNO3S
Molecular Weight263.75 g/mol
Exact Mass263.04
IUPAC Name1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol
SMILESCCS(=O)(=O)C(Cl)C(O)c1ccc(N)cc1
InChIInChI=1S/C10H14ClNO3S/c1-2-16(14,15)10(11)9(13)7-3-5-8(12)6-4-7/h3-6,9-10,13H,2,12H2,1H3
InChIKeyQQHHCROJCCIDFV-UHFFFAOYSA-N
XLogP1.30
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-2,2-dibromo-2-ethylsulfonylethanol
CID 102550401
1-(4-aminophenyl)-2-iodo-2-methylsulfonylethanol
CID 102550068
ethyl 3-(4-aminophenyl)-2,3-dihydroxypropanoate
CID 171865608
[(1R,2R)-1-(4-aminophenyl)-1,3-dihydroxypropan-2-yl]azanium
CID 137333878
N-[2-(4-aminophenyl)-2-hydroxyethyl]ethanesulfonamide
CID 43461540
1-chloro-1-ethylsulfonylpropan-2-ol
CID 102550019
S-[3-(4-aminophenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170821430
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
1-(4-aminophenyl)-2-ethylsulfonyl-3-hydroxypropan-1-one
CID 102549968
1-(4-aminophenyl)-2-ethylsulfonylbutan-1-one
CID 102549650
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829554
3-amino-3-(3-aminophenyl)-2-ethylsulfonylpropan-1-ol
CID 102551073

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol?
The IUPAC name of 1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol (CID 102550008) is 1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol is CCS(=O)(=O)C(Cl)C(O)c1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol?
The InChIKey is QQHHCROJCCIDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO3S/c1-2-16(14,15)10(11)9(13)7-3-5-8(12)6-4-7/h3-6,9-10,13H,2,12H2,1H3.
What are the key properties of 1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol?
1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol has a molecular weight of 263.75 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-chloro-2-ethylsulfonylethanol is sourced from PubChem (CID 102550008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).