N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide

C20H23FN2O4S — CID 26765658

IUPACN,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O4S/c1-3-22(4-2)28(25,26)18-9-10-19-15(13-18)11-12-23(19)20(24)14-27-17-7-5-16(21)6-8-17/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeySQPXWVXZIFOVRQ-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.82
Rot. Bonds7

About N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide

N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 26765658) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID26765658
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O4S/c1-3-22(4-2)28(25,26)18-9-10-19-15(13-18)11-12-23(19)20(24)14-27-17-7-5-16(21)6-8-17/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKeySQPXWVXZIFOVRQ-UHFFFAOYSA-N
XLogP2.82
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[2-[4-(trifluoromethyl)phenoxy]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55448495
1-[2-(4-acetylphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435508
1-(2-cyclopentyloxyacetyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 47046893
1-[2-(2-ethoxyphenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435322
1-[2-(2-chlorophenoxy)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435199
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 828891
N-[3-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
CID 46535281
1-(4-amino-3-methoxybutanoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 120587533
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
2-(4-fluorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762093
N,N-dimethyl-1-[2-[3-(trifluoromethyl)phenoxy]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 37349562

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide (CID 26765658) is N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccc(F)cc1.
What is the InChIKey of N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is SQPXWVXZIFOVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-3-22(4-2)28(25,26)18-9-10-19-15(13-18)11-12-23(19)20(24)14-27-17-7-5-16(21)6-8-17/h5-10,13H,3-4,11-12,14H2,1-2H3.
What are the key properties of N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide?
N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 406.48 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 26765658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).