2-amino-4-(3-methoxyphenoxy)benzenesulfonamide

C13H14N2O4S — CID 79467005

IUPAC2-amino-4-(3-methoxyphenoxy)benzenesulfonamide
SMILESCOc1cccc(Oc2ccc(S(N)(=O)=O)c(N)c2)c1
InChIInChI=1S/C13H14N2O4S/c1-18-9-3-2-4-10(7-9)19-11-5-6-13(12(14)8-11)20(15,16)17/h2-8H,14H2,1H3,(H2,15,16,17)
InChIKeyRFRHOUVDTQJJPY-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.72
Rot. Bonds4

About 2-amino-4-(3-methoxyphenoxy)benzenesulfonamide

2-amino-4-(3-methoxyphenoxy)benzenesulfonamide (PubChem CID 79467005) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-amino-4-(3-methoxyphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(3-methoxyphenoxy)benzenesulfonamide
PubChem CID79467005
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name2-amino-4-(3-methoxyphenoxy)benzenesulfonamide
SMILESCOc1cccc(Oc2ccc(S(N)(=O)=O)c(N)c2)c1
InChIInChI=1S/C13H14N2O4S/c1-18-9-3-2-4-10(7-9)19-11-5-6-13(12(14)8-11)20(15,16)17/h2-8H,14H2,1H3,(H2,15,16,17)
InChIKeyRFRHOUVDTQJJPY-UHFFFAOYSA-N
XLogP1.72
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.72
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-amino-4-(3-chlorophenoxy)benzenesulfonamide
CID 79467084
2-amino-4-pyridin-3-yloxybenzenesulfonamide
CID 79467523
2-amino-4-(2,3-dimethylphenoxy)benzenesulfonamide
CID 79466920
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
2-amino-4-(2,3,6-trimethylphenoxy)benzenesulfonamide
CID 79467348
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
4-(3-methoxyphenoxy)benzenesulfonyl chloride
CID 18071781
4-(3-ethoxyphenoxy)-2-methylbenzenesulfonamide
CID 62337650
2-amino-4-(2-bromo-4-methylphenoxy)benzenesulfonamide
CID 79467353
3-methoxybenzenesulfonamide
CID 14763060
2-chloro-4-(3-methoxyphenoxy)-5-sulfamoylbenzenesulfonate
CID 21312252
2-amino-4-(2-cyanophenoxy)benzenesulfonamide
CID 79467163

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-methoxyphenoxy)benzenesulfonamide?
The IUPAC name of 2-amino-4-(3-methoxyphenoxy)benzenesulfonamide (CID 79467005) is 2-amino-4-(3-methoxyphenoxy)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(3-methoxyphenoxy)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(3-methoxyphenoxy)benzenesulfonamide is COc1cccc(Oc2ccc(S(N)(=O)=O)c(N)c2)c1.
What is the InChIKey of 2-amino-4-(3-methoxyphenoxy)benzenesulfonamide?
The InChIKey is RFRHOUVDTQJJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-18-9-3-2-4-10(7-9)19-11-5-6-13(12(14)8-11)20(15,16)17/h2-8H,14H2,1H3,(H2,15,16,17).
What are the key properties of 2-amino-4-(3-methoxyphenoxy)benzenesulfonamide?
2-amino-4-(3-methoxyphenoxy)benzenesulfonamide has a molecular weight of 294.33 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-methoxyphenoxy)benzenesulfonamide is sourced from PubChem (CID 79467005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).