6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

C24H18F5N5O2S — CID 66733361

IUPAC6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)cn1
InChIInChI=1S/C24H18F5N5O2S/c1-3-14-8-21-17(9-19(14)26)18(10-30)23(34(21)22-7-4-15(25)11-32-22)20-6-5-16(12-31-20)37(35,36)33-13(2)24(27,28)29/h4-9,11-13,33H,3H2,1-2H3/t13-/m0/s1
InChIKeyRYSIDMJUSXQEQJ-ZDUSSCGKSA-N
MW535.50 g/mol
LogP5.03
Rot. Bonds6

About 6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide

6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (PubChem CID 66733361) has the molecular formula C24H18F5N5O2S and a molecular weight of 535.50 g/mol. Its IUPAC name is 6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
PubChem CID66733361
Molecular FormulaC24H18F5N5O2S
Molecular Weight535.50 g/mol
Exact Mass535.11
IUPAC Name6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide
SMILESCCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)cn1
InChIInChI=1S/C24H18F5N5O2S/c1-3-14-8-21-17(9-19(14)26)18(10-30)23(34(21)22-7-4-15(25)11-32-22)20-6-5-16(12-31-20)37(35,36)33-13(2)24(27,28)29/h4-9,11-13,33H,3H2,1-2H3/t13-/m0/s1
InChIKeyRYSIDMJUSXQEQJ-ZDUSSCGKSA-N
XLogP5.03
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.50
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide (CID 66733361) is 6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cn1)n2-c1ccc(F)cn1.
What is the InChIKey of 6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
The InChIKey is RYSIDMJUSXQEQJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H18F5N5O2S/c1-3-14-8-21-17(9-19(14)26)18(10-30)23(34(21)22-7-4-15(25)11-32-22)20-6-5-16(12-31-20)37(35,36)33-13(2)24(27,28)29/h4-9,11-13,33H,3H2,1-2H3/t13-/m0/s1.
What are the key properties of 6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide?
6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide has a molecular weight of 535.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyano-6-ethyl-5-fluoro-1-(5-fluoro-2-pyridinyl)indol-2-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 66733361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).