4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide

C14H16N2O4S — CID 2330520

IUPAC4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1N
InChIInChI=1S/C14H16N2O4S/c1-19-13-6-4-3-5-12(13)16-21(17,18)10-7-8-11(15)14(9-10)20-2/h3-9,16H,15H2,1-2H3
InChIKeyXHQXINKGJVEXNI-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.09
Rot. Bonds5

About 4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide

4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide (PubChem CID 2330520) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
PubChem CID2330520
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1N
InChIInChI=1S/C14H16N2O4S/c1-19-13-6-4-3-5-12(13)16-21(17,18)10-7-8-11(15)14(9-10)20-2/h3-9,16H,15H2,1-2H3
InChIKeyXHQXINKGJVEXNI-UHFFFAOYSA-N
XLogP2.09
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.09
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

4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide
CID 81438669
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
3-iodo-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 1289218
3-chloro-4-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 961849
4-amino-N-(2-chloro-5-fluorophenyl)-3-methoxybenzenesulfonamide
CID 107526733
N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2834884
4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442035
3-amino-N-(2-methoxyphenyl)-4-piperazin-1-ylbenzenesulfonamide;hydrochloride
CID 22272475
3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide
CID 115421139
N-(2-aminophenyl)-3-chloro-4-methoxybenzenesulfonamide
CID 43605551
1-[2-methoxy-4-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-methylthiourea
CID 25048446

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide (CID 2330520) is 4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
The InChIKey is XHQXINKGJVEXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-19-13-6-4-3-5-12(13)16-21(17,18)10-7-8-11(15)14(9-10)20-2/h3-9,16H,15H2,1-2H3.
What are the key properties of 4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide?
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 2330520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).