N-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine

C25H24F3N3O2S — CID 122449426

IUPACN-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine
SMILESCNCc1cn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Nc3ccc(C)cc3C)ccc12
InChIInChI=1S/C25H24F3N3O2S/c1-16-7-10-23(17(2)11-16)30-20-8-9-22-18(14-29-3)15-31(24(22)13-20)34(32,33)21-6-4-5-19(12-21)25(26,27)28/h4-13,15,29-30H,14H2,1-3H3
InChIKeyFCVMXUFQQQMQBV-UHFFFAOYSA-N
MW487.55 g/mol
LogP5.98
Rot. Bonds6

About N-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine

N-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine (PubChem CID 122449426) has the molecular formula C25H24F3N3O2S and a molecular weight of 487.55 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine
PubChem CID122449426
Molecular FormulaC25H24F3N3O2S
Molecular Weight487.55 g/mol
Exact Mass487.15
IUPAC NameN-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine
SMILESCNCc1cn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Nc3ccc(C)cc3C)ccc12
InChIInChI=1S/C25H24F3N3O2S/c1-16-7-10-23(17(2)11-16)30-20-8-9-22-18(14-29-3)15-31(24(22)13-20)34(32,33)21-6-4-5-19(12-21)25(26,27)28/h4-13,15,29-30H,14H2,1-3H3
InChIKeyFCVMXUFQQQMQBV-UHFFFAOYSA-N
XLogP5.98
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.55
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-methoxyphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethoxy)phenyl]sulfonylindol-6-amine
CID 122449429
tert-butyl N-[(6-bromo-1H-indol-3-yl)methyl]-N-methylcarbamate;tert-butyl N-[[6-bromo-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[6-[(2-chloro-6-methoxy-3-pyridinyl)amino]-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]methyl]-N-methylcarbamate;tert-butyl N-[[6-[(2-chloro-6-methoxy-3-pyridinyl)-methylamino]-1-[3-(trifluoromethyl)phenyl]sulfonylindol-3-yl]methyl]-N-methylcarbamate;N-(2-chloro-6-methoxy-3-pyridinyl)-N-methyl-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine
CID 160797364
N-methyl-1-[4-methyl-1-(3-methylphenyl)sulfonyl-5-phenylpyrrol-3-yl]methanamine
CID 66924782
3-bromo-1-[3-(trifluoromethyl)phenyl]sulfonylindole
CID 141006407
6-[(2,3-difluoro-4-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]sulfonylindole
CID 141441884
1-(2,5-dimethylphenyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 5006087
N-(4-iodo-2-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3729383
[1-[[1-[3-(trifluoromethyl)phenyl]sulfonylindol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 70843107
1-[(4-methylphenyl)methylsulfonyl]-3-(trifluoromethyl)benzene
CID 177392501
1-[5-(2,5-difluorophenyl)-1-(3-fluorophenyl)sulfonyl-4-methoxypyrrol-3-yl]-N-methylmethanamine;hydrochloride
CID 122656862
N-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 18281480
1-(4-methylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 5043551

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine (CID 122449426) is N-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine is CNCc1cn(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Nc3ccc(C)cc3C)ccc12.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine?
The InChIKey is FCVMXUFQQQMQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O2S/c1-16-7-10-23(17(2)11-16)30-20-8-9-22-18(14-29-3)15-31(24(22)13-20)34(32,33)21-6-4-5-19(12-21)25(26,27)28/h4-13,15,29-30H,14H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine?
N-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine has a molecular weight of 487.55 g/mol, XLogP of 5.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-(methylaminomethyl)-1-[3-(trifluoromethyl)phenyl]sulfonylindol-6-amine is sourced from PubChem (CID 122449426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).