N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide

C22H20F2N2O2S — CID 122179036

IUPACN-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1ccc2c(c1)CCN2CCc1ccccc1
InChIInChI=1S/C22H20F2N2O2S/c23-18-6-8-21(20(24)15-18)25-29(27,28)19-7-9-22-17(14-19)11-13-26(22)12-10-16-4-2-1-3-5-16/h1-9,14-15,25H,10-13H2
InChIKeyQEHJJDUBVAFWCX-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.37
Rot. Bonds6

About N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide

N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 122179036) has the molecular formula C22H20F2N2O2S and a molecular weight of 414.48 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID122179036
Molecular FormulaC22H20F2N2O2S
Molecular Weight414.48 g/mol
Exact Mass414.12
IUPAC NameN-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1ccc2c(c1)CCN2CCc1ccccc1
InChIInChI=1S/C22H20F2N2O2S/c23-18-6-8-21(20(24)15-18)25-29(27,28)19-7-9-22-17(14-19)11-13-26(22)12-10-16-4-2-1-3-5-16/h1-9,14-15,25H,10-13H2
InChIKeyQEHJJDUBVAFWCX-UHFFFAOYSA-N
XLogP4.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)-2,3-dihydroindol-7-yl]acetamide
CID 122179027
2,3-dihydro-1H-indole-5-sulfonamide
CID 8027252
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
5-(Pyrrolidin-1-ylsulfonyl)indoline
CID 7064088
4-(2,3-Dihydro-1H-indole-1-sulfonyl)aniline
CID 576320
1-(Phenylsulfonyl)indoline
CID 668757
1-(4-Fluorophenyl)sulfonyl-2,3-dihydroindole
CID 768000
N-octyl-5-(phenylsulfamoyl)-2,3-dihydro-1H-indole-1-carboxamide
CID 44298731
1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 2986661
N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide
CID 122179028
N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide
CID 122179034
N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide
CID 122179035

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide (CID 122179036) is N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide is O=S(=O)(Nc1ccc(F)cc1F)c1ccc2c(c1)CCN2CCc1ccccc1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is QEHJJDUBVAFWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O2S/c23-18-6-8-21(20(24)15-18)25-29(27,28)19-7-9-22-17(14-19)11-13-26(22)12-10-16-4-2-1-3-5-16/h1-9,14-15,25H,10-13H2.
What are the key properties of N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 414.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 122179036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).