3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide

C14H16N2O3S2 — CID 28528828

IUPAC3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(SC)cc2)cc1N
InChIInChI=1S/C14H16N2O3S2/c1-19-14-8-7-12(9-13(14)15)21(17,18)16-10-3-5-11(20-2)6-4-10/h3-9,16H,15H2,1-2H3
InChIKeyVOEGPTQQTSGKIK-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.80
Rot. Bonds5

About 3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide

3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 28528828) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
PubChem CID28528828
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(SC)cc2)cc1N
InChIInChI=1S/C14H16N2O3S2/c1-19-14-8-7-12(9-13(14)15)21(17,18)16-10-3-5-11(20-2)6-4-10/h3-9,16H,15H2,1-2H3
InChIKeyVOEGPTQQTSGKIK-UHFFFAOYSA-N
XLogP2.80
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.80
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-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 81440404
3-amino-4-bromo-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 115328665
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
CID 43604638
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280
3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584520
3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 43454843
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
CID 43604632
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
3-amino-4-methoxy-N-(3-nitrophenyl)benzenesulfonamide
CID 22759589
3-amino-N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114837025

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide (CID 28528828) is 3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(SC)cc2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is VOEGPTQQTSGKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-19-14-8-7-12(9-13(14)15)21(17,18)16-10-3-5-11(20-2)6-4-10/h3-9,16H,15H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide?
3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 324.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 28528828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).