N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide

C19H19F3N2O4S — CID 37349562

IUPACN,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O4S/c1-23(2)29(26,27)16-6-7-17-13(10-16)8-9-24(17)18(25)12-28-15-5-3-4-14(11-15)19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyNYNWMGVTBCJHSG-UHFFFAOYSA-N
MW428.43 g/mol
LogP2.92
Rot. Bonds5

About N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide

N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 37349562) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID37349562
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC NameN,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O4S/c1-23(2)29(26,27)16-6-7-17-13(10-16)8-9-24(17)18(25)12-28-15-5-3-4-14(11-15)19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyNYNWMGVTBCJHSG-UHFFFAOYSA-N
XLogP2.92
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
methyl 3-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethoxy]benzoate
CID 55448230
N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55448495
N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 26765658
2-(3-fluorophenoxy)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 18097851
1-acetyl-N-ethyl-N-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 3242578
N,N-dimethyl-1-(3-phenylpropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 26769525
1-[3-(2,6-dichlorophenyl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 100602895
N,N-dimethyl-4-[[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]carbamoyl]benzenesulfonamide
CID 2548184
2-(3-methylphenoxy)-1-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 26466084
N,N-dimethyl-1-(2-phenoxypropanoyl)-2,3-dihydroindole-5-sulfonamide
CID 18097880
N,N-dimethyl-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]-2,3-dihydroindole-6-sulfonamide
CID 86956997

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide (CID 37349562) is N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is NYNWMGVTBCJHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c1-23(2)29(26,27)16-6-7-17-13(10-16)8-9-24(17)18(25)12-28-15-5-3-4-14(11-15)19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide?
N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 428.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 37349562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).