N-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide

C27H27F2N3O3S — CID 122179039

IUPACN-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C1CCCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccccc1)CC2
InChIInChI=1S/C27H27F2N3O3S/c28-21-9-10-24(23(29)17-21)30-36(34,35)22-16-20-12-15-31(14-11-19-6-2-1-3-7-19)27(20)25(18-22)32-13-5-4-8-26(32)33/h1-3,6-7,9-10,16-18,30H,4-5,8,11-15H2
InChIKeyXYGULJFWJSARGX-UHFFFAOYSA-N
MW511.59 g/mol
LogP4.89
Rot. Bonds7

About N-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide

N-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 122179039) has the molecular formula C27H27F2N3O3S and a molecular weight of 511.59 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID122179039
Molecular FormulaC27H27F2N3O3S
Molecular Weight511.59 g/mol
Exact Mass511.17
IUPAC NameN-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C1CCCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccccc1)CC2
InChIInChI=1S/C27H27F2N3O3S/c28-21-9-10-24(23(29)17-21)30-36(34,35)22-16-20-12-15-31(14-11-19-6-2-1-3-7-19)27(20)25(18-22)32-13-5-4-8-26(32)33/h1-3,6-7,9-10,16-18,30H,4-5,8,11-15H2
InChIKeyXYGULJFWJSARGX-UHFFFAOYSA-N
XLogP4.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.59
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide (CID 122179039) is N-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide is O=C1CCCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccccc1)CC2.
What is the InChIKey of N-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is XYGULJFWJSARGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N3O3S/c28-21-9-10-24(23(29)17-21)30-36(34,35)22-16-20-12-15-31(14-11-19-6-2-1-3-7-19)27(20)25(18-22)32-13-5-4-8-26(32)33/h1-3,6-7,9-10,16-18,30H,4-5,8,11-15H2.
What are the key properties of N-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
N-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 511.59 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-7-(2-oxopiperidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 122179039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).