1-(4-hydroxyanilino)ethanesulfinic acid

C8H11NO3S — CID 174953438

IUPAC1-(4-hydroxyanilino)ethanesulfinic acid
SMILESCC(Nc1ccc(O)cc1)S(=O)O
InChIInChI=1S/C8H11NO3S/c1-6(13(11)12)9-7-2-4-8(10)5-3-7/h2-6,9-10H,1H3,(H,11,12)
InChIKeyYNUGZJZTSNXEKZ-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.37
Rot. Bonds3

About 1-(4-hydroxyanilino)ethanesulfinic acid

1-(4-hydroxyanilino)ethanesulfinic acid (PubChem CID 174953438) has the molecular formula C8H11NO3S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-(4-hydroxyanilino)ethanesulfinic acid.

Molecular Properties

Compound Name1-(4-hydroxyanilino)ethanesulfinic acid
PubChem CID174953438
Molecular FormulaC8H11NO3S
Molecular Weight201.25 g/mol
Exact Mass201.05
IUPAC Name1-(4-hydroxyanilino)ethanesulfinic acid
SMILESCC(Nc1ccc(O)cc1)S(=O)O
InChIInChI=1S/C8H11NO3S/c1-6(13(11)12)9-7-2-4-8(10)5-3-7/h2-6,9-10H,1H3,(H,11,12)
InChIKeyYNUGZJZTSNXEKZ-UHFFFAOYSA-N
XLogP1.37
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

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CID 43742811
4-[2-(4-hydroxyanilino)propyl]phenol
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CID 70629273
4-[(1-amino-3,3-dimethylbutan-2-yl)amino]phenol
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4-(1-hydroxypropan-2-ylamino)benzenesulfinic acid
CID 174471887
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CID 78972563
4-(4-propan-2-ylanilino)phenol
CID 21326552
4-(2-methylpropylamino)phenol
CID 15847203
4-[1-(5-bromofuran-2-yl)ethylamino]phenol
CID 104652665
4-(1-pyridin-2-ylethylamino)phenol
CID 43742707
4-[(4-methoxy-4-methylpentan-2-yl)amino]phenol
CID 43742567
4-[1-(4-ethylsulfonylanilino)ethyl]phenol
CID 43689686

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyanilino)ethanesulfinic acid?
The IUPAC name of 1-(4-hydroxyanilino)ethanesulfinic acid (CID 174953438) is 1-(4-hydroxyanilino)ethanesulfinic acid.
What is the SMILES notation for 1-(4-hydroxyanilino)ethanesulfinic acid?
The canonical SMILES for 1-(4-hydroxyanilino)ethanesulfinic acid is CC(Nc1ccc(O)cc1)S(=O)O.
What is the InChIKey of 1-(4-hydroxyanilino)ethanesulfinic acid?
The InChIKey is YNUGZJZTSNXEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3S/c1-6(13(11)12)9-7-2-4-8(10)5-3-7/h2-6,9-10H,1H3,(H,11,12).
What are the key properties of 1-(4-hydroxyanilino)ethanesulfinic acid?
1-(4-hydroxyanilino)ethanesulfinic acid has a molecular weight of 201.25 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyanilino)ethanesulfinic acid is sourced from PubChem (CID 174953438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).