6-[1-(5-chloro-3-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

C24H18ClF4N5O2S — CID 77181521

IUPAC6-[1-(5-chloro-3-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1cncc(Cl)c1
InChIInChI=1S/C24H18ClF4N5O2S/c1-3-14-6-22-18(8-20(14)26)19(9-30)23(34(22)16-7-15(25)10-31-11-16)21-5-4-17(12-32-21)37(35,36)33-13(2)24(27,28)29/h4-8,10-13,33H,3H2,1-2H3
InChIKeyNKOWVVIJEUIZRN-UHFFFAOYSA-N
MW551.95 g/mol
LogP5.54
Rot. Bonds6

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

6-[1-(5-chloro-3-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 77181521) has the molecular formula C24H18ClF4N5O2S and a molecular weight of 551.95 g/mol. Its IUPAC name is 6-[1-(5-chloro-3-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[1-(5-chloro-3-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID77181521
Molecular FormulaC24H18ClF4N5O2S
Molecular Weight551.95 g/mol
Exact Mass551.08
IUPAC Name6-[1-(5-chloro-3-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
SMILESCCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1cncc(Cl)c1
InChIInChI=1S/C24H18ClF4N5O2S/c1-3-14-6-22-18(8-20(14)26)19(9-30)23(34(22)16-7-15(25)10-31-11-16)21-5-4-17(12-32-21)37(35,36)33-13(2)24(27,28)29/h4-8,10-13,33H,3H2,1-2H3
InChIKeyNKOWVVIJEUIZRN-UHFFFAOYSA-N
XLogP5.54
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.95
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-chloro-3-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[1-(5-chloro-3-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 77181521) is 6-[1-(5-chloro-3-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[1-(5-chloro-3-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[1-(5-chloro-3-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is CCc1cc2c(cc1F)c(C#N)c(-c1ccc(S(=O)(=O)NC(C)C(F)(F)F)cn1)n2-c1cncc(Cl)c1.
What is the InChIKey of 6-[1-(5-chloro-3-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is NKOWVVIJEUIZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF4N5O2S/c1-3-14-6-22-18(8-20(14)26)19(9-30)23(34(22)16-7-15(25)10-31-11-16)21-5-4-17(12-32-21)37(35,36)33-13(2)24(27,28)29/h4-8,10-13,33H,3H2,1-2H3.
What are the key properties of 6-[1-(5-chloro-3-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
6-[1-(5-chloro-3-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 551.95 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-chloro-3-pyridinyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 77181521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).