(S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide

C19H26BrF3N2OS — CID 166911636

IUPAC(S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)Cn1cc([C@H](N[S@@](=O)C(C)(C)C)C(F)F)c2cc(F)c(Br)cc21
InChIInChI=1S/C19H26BrF3N2OS/c1-18(2,3)10-25-9-12(11-7-14(21)13(20)8-15(11)25)16(17(22)23)24-27(26)19(4,5)6/h7-9,16-17,24H,10H2,1-6H3/t16-,27-/m0/s1
InChIKeyMSDKAPVDCIXUDQ-OQRWROFFSA-N
MW467.40 g/mol
LogP5.95
Rot. Bonds5

About (S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide

(S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide (PubChem CID 166911636) has the molecular formula C19H26BrF3N2OS and a molecular weight of 467.40 g/mol. Its IUPAC name is (S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide
PubChem CID166911636
Molecular FormulaC19H26BrF3N2OS
Molecular Weight467.40 g/mol
Exact Mass466.09
IUPAC Name(S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)Cn1cc([C@H](N[S@@](=O)C(C)(C)C)C(F)F)c2cc(F)c(Br)cc21
InChIInChI=1S/C19H26BrF3N2OS/c1-18(2,3)10-25-9-12(11-7-14(21)13(20)8-15(11)25)16(17(22)23)24-27(26)19(4,5)6/h7-9,16-17,24H,10H2,1-6H3/t16-,27-/m0/s1
InChIKeyMSDKAPVDCIXUDQ-OQRWROFFSA-N
XLogP5.95
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide 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 (S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of (S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide (CID 166911636) is (S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide is CC(C)(C)Cn1cc([C@H](N[S@@](=O)C(C)(C)C)C(F)F)c2cc(F)c(Br)cc21.
What is the InChIKey of (S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide?
The InChIKey is MSDKAPVDCIXUDQ-OQRWROFFSA-N. The full InChI is InChI=1S/C19H26BrF3N2OS/c1-18(2,3)10-25-9-12(11-7-14(21)13(20)8-15(11)25)16(17(22)23)24-27(26)19(4,5)6/h7-9,16-17,24H,10H2,1-6H3/t16-,27-/m0/s1.
What are the key properties of (S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide?
(S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide has a molecular weight of 467.40 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-[(1S)-1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]-2,2-difluoroethyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 166911636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).