1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide

C18H20N2O6S — CID 10293910

IUPAC1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C=O)cc(OC)c1OC
InChIInChI=1S/C18H20N2O6S/c1-24-16-9-13(10-17(25-2)18(16)26-3)19-27(22,23)14-4-5-15-12(8-14)6-7-20(15)11-21/h4-5,8-11,19H,6-7H2,1-3H3
InChIKeyJETCWVMTMDKTOB-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.03
Rot. Bonds7

About 1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide

1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 10293910) has the molecular formula C18H20N2O6S and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID10293910
Molecular FormulaC18H20N2O6S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C=O)cc(OC)c1OC
InChIInChI=1S/C18H20N2O6S/c1-24-16-9-13(10-17(25-2)18(16)26-3)19-27(22,23)14-4-5-15-12(8-14)6-7-20(15)11-21/h4-5,8-11,19H,6-7H2,1-3H3
InChIKeyJETCWVMTMDKTOB-UHFFFAOYSA-N
XLogP2.03
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide (CID 10293910) is 1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide is COc1cc(NS(=O)(=O)c2ccc3c(c2)CCN3C=O)cc(OC)c1OC.
What is the InChIKey of 1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is JETCWVMTMDKTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6S/c1-24-16-9-13(10-17(25-2)18(16)26-3)19-27(22,23)14-4-5-15-12(8-14)6-7-20(15)11-21/h4-5,8-11,19H,6-7H2,1-3H3.
What are the key properties of 1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide?
1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 392.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-N-(3,4,5-trimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 10293910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).