1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole

C22H26F4N4O2S — CID 168956766

IUPAC1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole
SMILESCN(C)S(=O)(=O)NCc1cn(CC(C)(C)C)c2cc(-c3cccnc3C(F)(F)F)c(F)cc12
InChIInChI=1S/C22H26F4N4O2S/c1-21(2,3)13-30-12-14(11-28-33(31,32)29(4)5)16-9-18(23)17(10-19(16)30)15-7-6-8-27-20(15)22(24,25)26/h6-10,12,28H,11,13H2,1-5H3
InChIKeyUFJKMVXNIXIGMM-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.80
Rot. Bonds6

About 1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole

1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole (PubChem CID 168956766) has the molecular formula C22H26F4N4O2S and a molecular weight of 486.54 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole
PubChem CID168956766
Molecular FormulaC22H26F4N4O2S
Molecular Weight486.54 g/mol
Exact Mass486.17
IUPAC Name1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole
SMILESCN(C)S(=O)(=O)NCc1cn(CC(C)(C)C)c2cc(-c3cccnc3C(F)(F)F)c(F)cc12
InChIInChI=1S/C22H26F4N4O2S/c1-21(2,3)13-30-12-14(11-28-33(31,32)29(4)5)16-9-18(23)17(10-19(16)30)15-7-6-8-27-20(15)22(24,25)26/h6-10,12,28H,11,13H2,1-5H3
InChIKeyUFJKMVXNIXIGMM-UHFFFAOYSA-N
XLogP4.80
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole 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 1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole (CID 168956766) is 1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole is CN(C)S(=O)(=O)NCc1cn(CC(C)(C)C)c2cc(-c3cccnc3C(F)(F)F)c(F)cc12.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole?
The InChIKey is UFJKMVXNIXIGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F4N4O2S/c1-21(2,3)13-30-12-14(11-28-33(31,32)29(4)5)16-9-18(23)17(10-19(16)30)15-7-6-8-27-20(15)22(24,25)26/h6-10,12,28H,11,13H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole?
1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole has a molecular weight of 486.54 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[(dimethylsulfamoylamino)methyl]-5-fluoro-6-[2-(trifluoromethyl)-3-pyridinyl]indole is sourced from PubChem (CID 168956766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).