1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol

C10H14N2O4S — CID 107212187

IUPAC1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
SMILESCOc1ccc(S(=O)(=O)N2CC(O)C2)c(N)c1
InChIInChI=1S/C10H14N2O4S/c1-16-8-2-3-10(9(11)4-8)17(14,15)12-5-7(13)6-12/h2-4,7,13H,5-6,11H2,1H3
InChIKeyZQZNBDSLCZZBPZ-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.36
Rot. Bonds3

About 1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol

1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol (PubChem CID 107212187) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
PubChem CID107212187
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol
SMILESCOc1ccc(S(=O)(=O)N2CC(O)C2)c(N)c1
InChIInChI=1S/C10H14N2O4S/c1-16-8-2-3-10(9(11)4-8)17(14,15)12-5-7(13)6-12/h2-4,7,13H,5-6,11H2,1H3
InChIKeyZQZNBDSLCZZBPZ-UHFFFAOYSA-N
XLogP-0.36
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methoxyaniline
CID 79188219
5-methoxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 66392074
5-methoxy-2-(3-methoxypyrrolidin-1-yl)sulfonylaniline
CID 103530263
1-(2-amino-4-bromophenyl)sulfonylazetidin-3-ol
CID 107212161
1-(2-amino-4-fluorophenyl)sulfonylazetidin-3-ol
CID 107212176
1-(2-amino-4-methoxyphenyl)sulfonyl-4-methylpiperidin-4-ol
CID 81096099
2-(4-ethyl-3-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline
CID 63604557
2-(3-ethyl-4-methylpiperazin-1-yl)sulfonyl-5-methoxyaniline
CID 63604734
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
2-amino-N-(4-hydroxycyclohexyl)-4-methoxybenzenesulfonamide
CID 29037342
2-(2,2-dimethylmorpholin-4-yl)sulfonyl-5-methoxyaniline
CID 43592433
[(2R)-1-(2-amino-4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 107212272

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol?
The IUPAC name of 1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol (CID 107212187) is 1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol.
What is the SMILES notation for 1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol?
The canonical SMILES for 1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol is COc1ccc(S(=O)(=O)N2CC(O)C2)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol?
The InChIKey is ZQZNBDSLCZZBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-16-8-2-3-10(9(11)4-8)17(14,15)12-5-7(13)6-12/h2-4,7,13H,5-6,11H2,1H3.
What are the key properties of 1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol?
1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol has a molecular weight of 258.30 g/mol, XLogP of -0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methoxyphenyl)sulfonylazetidin-3-ol is sourced from PubChem (CID 107212187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).