6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide

C25H27FN4O2S — CID 66731170

IUPAC6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(F)cc3n2C2CCCCC2)nc1)C1CC1
InChIInChI=1S/C25H27FN4O2S/c1-16(17-7-8-17)29-33(31,32)20-10-12-23(28-15-20)25-22(14-27)21-11-9-18(26)13-24(21)30(25)19-5-3-2-4-6-19/h9-13,15-17,19,29H,2-8H2,1H3/t16-/m0/s1
InChIKeyVVHQFSLWVIGRHJ-INIZCTEOSA-N
MW466.58 g/mol
LogP5.30
Rot. Bonds6

About 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide

6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide (PubChem CID 66731170) has the molecular formula C25H27FN4O2S and a molecular weight of 466.58 g/mol. Its IUPAC name is 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide
PubChem CID66731170
Molecular FormulaC25H27FN4O2S
Molecular Weight466.58 g/mol
Exact Mass466.18
IUPAC Name6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(F)cc3n2C2CCCCC2)nc1)C1CC1
InChIInChI=1S/C25H27FN4O2S/c1-16(17-7-8-17)29-33(31,32)20-10-12-23(28-15-20)25-22(14-27)21-11-9-18(26)13-24(21)30(25)19-5-3-2-4-6-19/h9-13,15-17,19,29H,2-8H2,1H3/t16-/m0/s1
InChIKeyVVHQFSLWVIGRHJ-INIZCTEOSA-N
XLogP5.30
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide (CID 66731170) is 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide is C[C@H](NS(=O)(=O)c1ccc(-c2c(C#N)c3ccc(F)cc3n2C2CCCCC2)nc1)C1CC1.
What is the InChIKey of 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide?
The InChIKey is VVHQFSLWVIGRHJ-INIZCTEOSA-N. The full InChI is InChI=1S/C25H27FN4O2S/c1-16(17-7-8-17)29-33(31,32)20-10-12-23(28-15-20)25-22(14-27)21-11-9-18(26)13-24(21)30(25)19-5-3-2-4-6-19/h9-13,15-17,19,29H,2-8H2,1H3/t16-/m0/s1.
What are the key properties of 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide?
6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide has a molecular weight of 466.58 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyano-1-cyclohexyl-6-fluoroindol-2-yl)-N-[(1S)-1-cyclopropylethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 66731170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).