3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide

C18H22N2O6S — CID 67318958

IUPAC3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide
SMILESCOc1cc(OC)c(C=CNS(=O)(=O)c2ccc(OC)c(N)c2)c(OC)c1
InChIInChI=1S/C18H22N2O6S/c1-23-12-9-17(25-3)14(18(10-12)26-4)7-8-20-27(21,22)13-5-6-16(24-2)15(19)11-13/h5-11,20H,19H2,1-4H3
InChIKeyNQFDMXMPYKNMQH-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.25
Rot. Bonds8

About 3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide

3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide (PubChem CID 67318958) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide
PubChem CID67318958
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC Name3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide
SMILESCOc1cc(OC)c(C=CNS(=O)(=O)c2ccc(OC)c(N)c2)c(OC)c1
InChIInChI=1S/C18H22N2O6S/c1-23-12-9-17(25-3)14(18(10-12)26-4)7-8-20-27(21,22)13-5-6-16(24-2)15(19)11-13/h5-11,20H,19H2,1-4H3
InChIKeyNQFDMXMPYKNMQH-UHFFFAOYSA-N
XLogP2.25
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28544416
N-(3-amino-4-methoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-enamide
CID 68957635
3-amino-4-methoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277889
3-amino-4-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 29269773
3-amino-N-(3,5-dimethylcyclohexyl)-4-methoxybenzenesulfonamide
CID 64734598
3-amino-4-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 43111821
3-amino-4-methoxy-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 30058768
5-(difluoromethylsulfonyl)-2-methoxyaniline
CID 3374971
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280
N-(2-amino-4-methoxyphenyl)-2-(2,4,6-trimethoxyphenyl)ethenesulfonamide
CID 67317738
3-amino-N-(2-ethoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 114940446
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide (CID 67318958) is 3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide is COc1cc(OC)c(C=CNS(=O)(=O)c2ccc(OC)c(N)c2)c(OC)c1.
What is the InChIKey of 3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide?
The InChIKey is NQFDMXMPYKNMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-23-12-9-17(25-3)14(18(10-12)26-4)7-8-20-27(21,22)13-5-6-16(24-2)15(19)11-13/h5-11,20H,19H2,1-4H3.
What are the key properties of 3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide?
3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide has a molecular weight of 394.45 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-[2-(2,4,6-trimethoxyphenyl)ethenyl]benzenesulfonamide is sourced from PubChem (CID 67318958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).