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

C14H16N2O3S2 — CID 81440404

IUPAC4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(SC)cc2)ccc1N
InChIInChI=1S/C14H16N2O3S2/c1-19-14-9-12(7-8-13(14)15)21(17,18)16-10-3-5-11(20-2)6-4-10/h3-9,16H,15H2,1-2H3
InChIKeyLFRDMSQEPCBXNN-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.80
Rot. Bonds5

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

4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 81440404) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
PubChem CID81440404
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(SC)cc2)ccc1N
InChIInChI=1S/C14H16N2O3S2/c1-19-14-9-12(7-8-13(14)15)21(17,18)16-10-3-5-11(20-2)6-4-10/h3-9,16H,15H2,1-2H3
InChIKeyLFRDMSQEPCBXNN-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

3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 28528828
4-amino-N-(4-ethylphenyl)-3-methoxybenzenesulfonamide
CID 81441768
3-amino-4-bromo-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 115328665
4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide
CID 2330567
4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide
CID 81442051
3-[(4-amino-3-methoxyphenyl)sulfonylamino]benzenesulfonic acid
CID 54467936
4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 43454843
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
CID 43604994
4-amino-3-methoxy-N-(2-methylsulfanylpropyl)benzenesulfonamide
CID 113466249
N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
CID 43605015
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide (CID 81440404) is 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccc(SC)cc2)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is LFRDMSQEPCBXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-19-14-9-12(7-8-13(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 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide?
4-amino-3-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 4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 81440404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).