6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide

C16H11F3N2O5S — CID 135201013

IUPAC6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide
SMILESCOc1ccc2c(S(=O)(=O)Nc3cc4c(cc3F)OC(F)(F)O4)c[nH]c2c1
InChIInChI=1S/C16H11F3N2O5S/c1-24-8-2-3-9-11(4-8)20-7-15(9)27(22,23)21-12-6-14-13(5-10(12)17)25-16(18,19)26-14/h2-7,20-21H,1H3
InChIKeyRTSMMEMWUDQBLL-UHFFFAOYSA-N
MW400.33 g/mol
LogP3.44
Rot. Bonds4

About 6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide

6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide (PubChem CID 135201013) has the molecular formula C16H11F3N2O5S and a molecular weight of 400.33 g/mol. Its IUPAC name is 6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide.

Molecular Properties

Compound Name6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide
PubChem CID135201013
Molecular FormulaC16H11F3N2O5S
Molecular Weight400.33 g/mol
Exact Mass400.03
IUPAC Name6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide
SMILESCOc1ccc2c(S(=O)(=O)Nc3cc4c(cc3F)OC(F)(F)O4)c[nH]c2c1
InChIInChI=1S/C16H11F3N2O5S/c1-24-8-2-3-9-11(4-8)20-7-15(9)27(22,23)21-12-6-14-13(5-10(12)17)25-16(18,19)26-14/h2-7,20-21H,1H3
InChIKeyRTSMMEMWUDQBLL-UHFFFAOYSA-N
XLogP3.44
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.33
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide?
The IUPAC name of 6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide (CID 135201013) is 6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide.
What is the SMILES notation for 6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide?
The canonical SMILES for 6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide is COc1ccc2c(S(=O)(=O)Nc3cc4c(cc3F)OC(F)(F)O4)c[nH]c2c1.
What is the InChIKey of 6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide?
The InChIKey is RTSMMEMWUDQBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O5S/c1-24-8-2-3-9-11(4-8)20-7-15(9)27(22,23)21-12-6-14-13(5-10(12)17)25-16(18,19)26-14/h2-7,20-21H,1H3.
What are the key properties of 6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide?
6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide has a molecular weight of 400.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)-1H-indole-3-sulfonamide is sourced from PubChem (CID 135201013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).