1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide

C20H21F3N2O4S — CID 55542300

IUPAC1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N(C)Cc3ccccc3OC(F)(F)F)cc2CC1C
InChIInChI=1S/C20H21F3N2O4S/c1-13-10-16-11-17(8-9-18(16)25(13)14(2)26)30(27,28)24(3)12-15-6-4-5-7-19(15)29-20(21,22)23/h4-9,11,13H,10,12H2,1-3H3
InChIKeyFJAZAZITJDDKAQ-UHFFFAOYSA-N
MW442.46 g/mol
LogP3.70
Rot. Bonds5

About 1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 55542300) has the molecular formula C20H21F3N2O4S and a molecular weight of 442.46 g/mol. Its IUPAC name is 1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID55542300
Molecular FormulaC20H21F3N2O4S
Molecular Weight442.46 g/mol
Exact Mass442.12
IUPAC Name1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)N(C)Cc3ccccc3OC(F)(F)F)cc2CC1C
InChIInChI=1S/C20H21F3N2O4S/c1-13-10-16-11-17(8-9-18(16)25(13)14(2)26)30(27,28)24(3)12-15-6-4-5-7-19(15)29-20(21,22)23/h4-9,11,13H,10,12H2,1-3H3
InChIKeyFJAZAZITJDDKAQ-UHFFFAOYSA-N
XLogP3.70
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N,2-dimethyl-N-[(2-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 51320229
2-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 20901840
1-acetyl-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 42933253
1-acetyl-N-[(3-methoxyphenyl)methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 51299193
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]acetic acid
CID 92863762
1-acetyl-N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 55627848
N,2-dimethyl-1-methylsulfonyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 46420837
1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20901814
3-chloro-4-methoxy-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]benzenesulfonamide
CID 55681731
1-acetyl-N-(1-aminopropan-2-yl)-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119982855
2-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-chlorophenyl)acetamide
CID 41051661
1-acetyl-N,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 20901839

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide (CID 55542300) is 1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)N(C)Cc3ccccc3OC(F)(F)F)cc2CC1C.
What is the InChIKey of 1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is FJAZAZITJDDKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4S/c1-13-10-16-11-17(8-9-18(16)25(13)14(2)26)30(27,28)24(3)12-15-6-4-5-7-19(15)29-20(21,22)23/h4-9,11,13H,10,12H2,1-3H3.
What are the key properties of 1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 442.46 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55542300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).