6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

C18H17F4N3O2S — CID 66730860

IUPAC6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCCc1cc2[nH]c(-c3ccc(S(=O)(=O)NC(C)C(F)(F)F)cn3)cc2cc1F
InChIInChI=1S/C18H17F4N3O2S/c1-3-11-7-16-12(6-14(11)19)8-17(24-16)15-5-4-13(9-23-15)28(26,27)25-10(2)18(20,21)22/h4-10,24-25H,3H2,1-2H3
InChIKeyKQGLHFKGGRFFCH-UHFFFAOYSA-N
MW415.41 g/mol
LogP4.16
Rot. Bonds5

About 6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 66730860) has the molecular formula C18H17F4N3O2S and a molecular weight of 415.41 g/mol. Its IUPAC name is 6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID66730860
Molecular FormulaC18H17F4N3O2S
Molecular Weight415.41 g/mol
Exact Mass415.10
IUPAC Name6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCCc1cc2[nH]c(-c3ccc(S(=O)(=O)NC(C)C(F)(F)F)cn3)cc2cc1F
InChIInChI=1S/C18H17F4N3O2S/c1-3-11-7-16-12(6-14(11)19)8-17(24-16)15-5-4-13(9-23-15)28(26,27)25-10(2)18(20,21)22/h4-10,24-25H,3H2,1-2H3
InChIKeyKQGLHFKGGRFFCH-UHFFFAOYSA-N
XLogP4.16
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 66730860) is 6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is CCc1cc2[nH]c(-c3ccc(S(=O)(=O)NC(C)C(F)(F)F)cn3)cc2cc1F.
What is the InChIKey of 6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is KQGLHFKGGRFFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F4N3O2S/c1-3-11-7-16-12(6-14(11)19)8-17(24-16)15-5-4-13(9-23-15)28(26,27)25-10(2)18(20,21)22/h4-10,24-25H,3H2,1-2H3.
What are the key properties of 6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 415.41 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethyl-5-fluoro-1H-indol-2-yl)-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 66730860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).