N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide

C23H21F2N3O3S — CID 122179034

IUPACN-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(Cc1ccccc1)CC2
InChIInChI=1S/C23H21F2N3O3S/c1-15(29)26-22-13-19(32(30,31)27-21-8-7-18(24)12-20(21)25)11-17-9-10-28(23(17)22)14-16-5-3-2-4-6-16/h2-8,11-13,27H,9-10,14H2,1H3,(H,26,29)
InChIKeyIIRWXQAVENQCMZ-UHFFFAOYSA-N
MW457.50 g/mol
LogP4.29
Rot. Bonds6

About N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide

N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide (PubChem CID 122179034) has the molecular formula C23H21F2N3O3S and a molecular weight of 457.50 g/mol. Its IUPAC name is N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide.

Molecular Properties

Compound NameN-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide
PubChem CID122179034
Molecular FormulaC23H21F2N3O3S
Molecular Weight457.50 g/mol
Exact Mass457.13
IUPAC NameN-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide
SMILESCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(Cc1ccccc1)CC2
InChIInChI=1S/C23H21F2N3O3S/c1-15(29)26-22-13-19(32(30,31)27-21-8-7-18(24)12-20(21)25)11-17-9-10-28(23(17)22)14-16-5-3-2-4-6-16/h2-8,11-13,27H,9-10,14H2,1H3,(H,26,29)
InChIKeyIIRWXQAVENQCMZ-UHFFFAOYSA-N
XLogP4.29
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(2-phenylethyl)-2,3-dihydroindol-7-yl]acetamide
CID 122179027
N-(2-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3652315
N-[4-(aminosulfonyl)phenyl]-2-(2,3-dihydro-1H-indol-1-yl)acetamide
CID 2817021
1-acetyl-N-(4-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 2986661
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 4364151
N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]-2,3-dihydroindol-7-yl]acetamide
CID 122179028
N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-(3-phenylpropyl)-2,3-dihydroindol-7-yl]acetamide
CID 122179035
N-(2,4-difluorophenyl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 122179036
N-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 122179037
N-(2,4-difluorophenyl)-7-(2-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 122179038
N-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 122179039
N-ethyl-N-(3-methylphenyl)-1-propionylindoline-5-sulfonamide
CID 3235643

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide?
The IUPAC name of N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide (CID 122179034) is N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide.
What is the SMILES notation for N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide?
The canonical SMILES for N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide is CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(Cc1ccccc1)CC2.
What is the InChIKey of N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide?
The InChIKey is IIRWXQAVENQCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N3O3S/c1-15(29)26-22-13-19(32(30,31)27-21-8-7-18(24)12-20(21)25)11-17-9-10-28(23(17)22)14-16-5-3-2-4-6-16/h2-8,11-13,27H,9-10,14H2,1H3,(H,26,29).
What are the key properties of N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide?
N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide has a molecular weight of 457.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-5-[(2,4-difluorophenyl)sulfamoyl]-2,3-dihydroindol-7-yl]acetamide is sourced from PubChem (CID 122179034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).