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

C13H14N2O4S — CID 82899200

IUPAC4-amino-3-(2-methoxyphenoxy)benzenesulfonamide
SMILESCOc1ccccc1Oc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C13H14N2O4S/c1-18-11-4-2-3-5-12(11)19-13-8-9(20(15,16)17)6-7-10(13)14/h2-8H,14H2,1H3,(H2,15,16,17)
InChIKeyIPHIKKQRCKVEDY-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.72
Rot. Bonds4

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

4-amino-3-(2-methoxyphenoxy)benzenesulfonamide (PubChem CID 82899200) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is 4-amino-3-(2-methoxyphenoxy)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(2-methoxyphenoxy)benzenesulfonamide
PubChem CID82899200
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name4-amino-3-(2-methoxyphenoxy)benzenesulfonamide
SMILESCOc1ccccc1Oc1cc(S(N)(=O)=O)ccc1N
InChIInChI=1S/C13H14N2O4S/c1-18-11-4-2-3-5-12(11)19-13-8-9(20(15,16)17)6-7-10(13)14/h2-8H,14H2,1H3,(H2,15,16,17)
InChIKeyIPHIKKQRCKVEDY-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'}

Analyze 4-amino-3-(2-methoxyphenoxy)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-(2-methoxyphenoxy)benzenesulfonamide
CID 61374264
4-amino-3-(2-cyanophenoxy)benzenesulfonamide
CID 82900103
CID 118692692
CID 118692692
4-amino-3-(2-bromo-4-fluorophenoxy)benzenesulfonamide
CID 82898480
4-amino-3-(2-methoxyphenoxy)benzonitrile
CID 113444296
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
4-amino-3-(5-bromo-2-chlorophenoxy)benzenesulfonamide
CID 82898890
4-amino-3-(3-bromo-4-fluorophenoxy)benzenesulfonamide
CID 83231994
4-amino-3-[(6-methyl-3-pyridinyl)oxy]benzenesulfonamide
CID 82899040
4-amino-3-(4-fluoro-3-methylphenoxy)benzenesulfonamide
CID 82900296
4-amino-3-(2-chlorophenoxy)-N-methylbenzenesulfonamide
CID 82900666
4-amino-3-hexoxybenzenesulfonamide
CID 82898886

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-methoxyphenoxy)benzenesulfonamide?
The IUPAC name of 4-amino-3-(2-methoxyphenoxy)benzenesulfonamide (CID 82899200) is 4-amino-3-(2-methoxyphenoxy)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(2-methoxyphenoxy)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(2-methoxyphenoxy)benzenesulfonamide is COc1ccccc1Oc1cc(S(N)(=O)=O)ccc1N.
What is the InChIKey of 4-amino-3-(2-methoxyphenoxy)benzenesulfonamide?
The InChIKey is IPHIKKQRCKVEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S/c1-18-11-4-2-3-5-12(11)19-13-8-9(20(15,16)17)6-7-10(13)14/h2-8H,14H2,1H3,(H2,15,16,17).
What are the key properties of 4-amino-3-(2-methoxyphenoxy)benzenesulfonamide?
4-amino-3-(2-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 4-amino-3-(2-methoxyphenoxy)benzenesulfonamide is sourced from PubChem (CID 82899200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).