N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide

C23H24ClF4N3O2S — CID 166911883

About N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide

N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide (PubChem CID 166911883) has the molecular formula C23H24ClF4N3O2S and a molecular weight of 517.98 g/mol. Its IUPAC name is N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
• PubChem CID: 166911883
• Molecular Formula: C23H24ClF4N3O2S
• Molecular Weight: 517.98 g/mol
• Exact Mass: 517.12
• IUPAC Name: N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide
• SMILES: CC(C)(C)Cn1cc([C@H](NS(=O)(=O)C2CC2)C(F)(F)F)c2cc(F)c(-c3ccncc3Cl)cc21
• InChI: InChI=1S/C23H24ClF4N3O2S/c1-22(2,3)12-31-11-17(21(23(26,27)28)30-34(32,33)13-4-5-13)16-8-19(25)15(9-20(16)31)14-6-7-29-10-18(14)24/h6-11,13,21,30H,4-5,12H2,1-3H3/t21-/m0/s1
• InChIKey: NCOYCIIRCDCORD-NRFANRHFSA-N
• XLogP: 6.23
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.98
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?

The IUPAC name of N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide (CID 166911883) is N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide.

What is the SMILES notation for N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?

The canonical SMILES for N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide is CC(C)(C)Cn1cc([C@H](NS(=O)(=O)C2CC2)C(F)(F)F)c2cc(F)c(-c3ccncc3Cl)cc21.

What is the InChIKey of N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?

The InChIKey is NCOYCIIRCDCORD-NRFANRHFSA-N. The full InChI is InChI=1S/C23H24ClF4N3O2S/c1-22(2,3)12-31-11-17(21(23(26,27)28)30-34(32,33)13-4-5-13)16-8-19(25)15(9-20(16)31)14-6-7-29-10-18(14)24/h6-11,13,21,30H,4-5,12H2,1-3H3/t21-/m0/s1.

What are the key properties of N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide?

N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide has a molecular weight of 517.98 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[6-(3-chloro-4-pyridinyl)-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2,2-trifluoroethyl]cyclopropanesulfonamide is sourced from PubChem (CID 166911883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).