(4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide

C24H26F6N2OS — CID 169304919

IUPAC(4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide
SMILESCC(C)Cn1cc([C@@H](CC(C)S(N)=O)C(F)(F)F)c2ccc(-c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C24H26F6N2OS/c1-14(2)12-32-13-19(21(24(28,29)30)10-15(3)34(31)33)18-9-8-16(11-22(18)32)17-6-4-5-7-20(17)23(25,26)27/h4-9,11,13-15,21H,10,12,31H2,1-3H3/t15?,21-,34?/m1/s1
InChIKeyWVCPCVFSXYUWAV-WFJZKTRYSA-N
MW504.54 g/mol
LogP7.03
Rot. Bonds7

About (4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide

(4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide (PubChem CID 169304919) has the molecular formula C24H26F6N2OS and a molecular weight of 504.54 g/mol. Its IUPAC name is (4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide.

Molecular Properties

Compound Name(4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide
PubChem CID169304919
Molecular FormulaC24H26F6N2OS
Molecular Weight504.54 g/mol
Exact Mass504.17
IUPAC Name(4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide
SMILESCC(C)Cn1cc([C@@H](CC(C)S(N)=O)C(F)(F)F)c2ccc(-c3ccccc3C(F)(F)F)cc21
InChIInChI=1S/C24H26F6N2OS/c1-14(2)12-32-13-19(21(24(28,29)30)10-15(3)34(31)33)18-9-8-16(11-22(18)32)17-6-4-5-7-20(17)23(25,26)27/h4-9,11,13-15,21H,10,12,31H2,1-3H3/t15?,21-,34?/m1/s1
InChIKeyWVCPCVFSXYUWAV-WFJZKTRYSA-N
XLogP7.03
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.54
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide?
The IUPAC name of (4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide (CID 169304919) is (4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide.
What is the SMILES notation for (4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide?
The canonical SMILES for (4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide is CC(C)Cn1cc([C@@H](CC(C)S(N)=O)C(F)(F)F)c2ccc(-c3ccccc3C(F)(F)F)cc21.
What is the InChIKey of (4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide?
The InChIKey is WVCPCVFSXYUWAV-WFJZKTRYSA-N. The full InChI is InChI=1S/C24H26F6N2OS/c1-14(2)12-32-13-19(21(24(28,29)30)10-15(3)34(31)33)18-9-8-16(11-22(18)32)17-6-4-5-7-20(17)23(25,26)27/h4-9,11,13-15,21H,10,12,31H2,1-3H3/t15?,21-,34?/m1/s1.
What are the key properties of (4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide?
(4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide has a molecular weight of 504.54 g/mol, XLogP of 7.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5,5,5-trifluoro-4-[1-(2-methylpropyl)-6-[2-(trifluoromethyl)phenyl]indol-3-yl]pentane-2-sulfinamide is sourced from PubChem (CID 169304919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).