6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

C25H18ClF5N4O2S — CID 91340701

IUPAC6-[1-(3-chloro-4-fluorophenyl)-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-c1ccc(F)c(Cl)c1
InChIInChI=1S/C25H18ClF5N4O2S/c1-3-14-8-23-17(10-21(14)28)18(11-32)24(35(23)15-4-6-20(27)19(26)9-15)22-7-5-16(12-33-22)38(36,37)34-13(2)25(29,30)31/h4-10,12-13,34H,3H2,1-2H3
InChIKeyBMZOALJBKKCYAJ-UHFFFAOYSA-N
MW568.96 g/mol
LogP6.29
Rot. Bonds6

About 6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide

6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (PubChem CID 91340701) has the molecular formula C25H18ClF5N4O2S and a molecular weight of 568.96 g/mol. Its IUPAC name is 6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide
PubChem CID91340701
Molecular FormulaC25H18ClF5N4O2S
Molecular Weight568.96 g/mol
Exact Mass568.08
IUPAC Name6-[1-(3-chloro-4-fluorophenyl)-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-c1ccc(F)c(Cl)c1
InChIInChI=1S/C25H18ClF5N4O2S/c1-3-14-8-23-17(10-21(14)28)18(11-32)24(35(23)15-4-6-20(27)19(26)9-15)22-7-5-16(12-33-22)38(36,37)34-13(2)25(29,30)31/h4-10,12-13,34H,3H2,1-2H3
InChIKeyBMZOALJBKKCYAJ-UHFFFAOYSA-N
XLogP6.29
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.96
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide (CID 91340701) is 6-[1-(3-chloro-4-fluorophenyl)-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-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[1-(3-chloro-4-fluorophenyl)-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-c1ccc(F)c(Cl)c1.
What is the InChIKey of 6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
The InChIKey is BMZOALJBKKCYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClF5N4O2S/c1-3-14-8-23-17(10-21(14)28)18(11-32)24(35(23)15-4-6-20(27)19(26)9-15)22-7-5-16(12-33-22)38(36,37)34-13(2)25(29,30)31/h4-10,12-13,34H,3H2,1-2H3.
What are the key properties of 6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide?
6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide has a molecular weight of 568.96 g/mol, XLogP of 6.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-chloro-4-fluorophenyl)-3-cyano-6-ethyl-5-fluoroindol-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 91340701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).