4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol

C14H15NO4S — CID 81206980

IUPAC4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol
SMILESCOc1ccc(N)c(S(=O)(=O)Cc2ccc(O)cc2)c1
InChIInChI=1S/C14H15NO4S/c1-19-12-6-7-13(15)14(8-12)20(17,18)9-10-2-4-11(16)5-3-10/h2-8,16H,9,15H2,1H3
InChIKeyMZHIGLHKRKKPHC-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.96
Rot. Bonds4

About 4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol

4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol (PubChem CID 81206980) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol.

Molecular Properties

Compound Name4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol
PubChem CID81206980
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol
SMILESCOc1ccc(N)c(S(=O)(=O)Cc2ccc(O)cc2)c1
InChIInChI=1S/C14H15NO4S/c1-19-12-6-7-13(15)14(8-12)20(17,18)9-10-2-4-11(16)5-3-10/h2-8,16H,9,15H2,1H3
InChIKeyMZHIGLHKRKKPHC-UHFFFAOYSA-N
XLogP1.96
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.96
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-bromophenyl)methylsulfonyl]-4-methoxyaniline
CID 81207392
4-methoxy-2-(methoxymethylsulfonyl)aniline
CID 81207309
2-(2-amino-5-methoxyphenyl)sulfonylacetamide
CID 81207136
4-methoxy-2-(3-methylsulfonylpropylsulfonyl)aniline
CID 81207138
2-[(5-bromothiophen-2-yl)methylsulfonyl]-4-methoxyaniline
CID 81206584
2-[(2,4-dichlorophenyl)methylsulfonyl]-4-methoxyaniline
CID 81201299
lithium 2-amino-5-methoxybenzenesulfonate
CID 101304006
4-methoxy-2-(3,3,3-trifluoropropylsulfonyl)aniline
CID 81206904
2-[(2-amino-5-methoxyphenyl)sulfonylmethyl]benzonitrile
CID 81201156
3-chloro-4-[(4-methoxyphenyl)methylsulfonyl]aniline
CID 81182142
2-(2-ethylsulfanylethylsulfonyl)-4-methoxyaniline
CID 113474819
4-methoxy-2-[2-(4-methylpiperazin-1-yl)ethylsulfonyl]aniline
CID 82888470

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol?
The IUPAC name of 4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol (CID 81206980) is 4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol.
What is the SMILES notation for 4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol?
The canonical SMILES for 4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol is COc1ccc(N)c(S(=O)(=O)Cc2ccc(O)cc2)c1.
What is the InChIKey of 4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol?
The InChIKey is MZHIGLHKRKKPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-19-12-6-7-13(15)14(8-12)20(17,18)9-10-2-4-11(16)5-3-10/h2-8,16H,9,15H2,1H3.
What are the key properties of 4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol?
4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol has a molecular weight of 293.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-methoxyphenyl)sulfonylmethyl]phenol is sourced from PubChem (CID 81206980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).