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

C26H25F2N3O3S — CID 122179038

IUPACN-(2,4-difluorophenyl)-7-(2-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C1CCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccccc1)CC2
InChIInChI=1S/C26H25F2N3O3S/c27-20-8-9-23(22(28)16-20)29-35(33,34)21-15-19-11-14-30(13-10-18-5-2-1-3-6-18)26(19)24(17-21)31-12-4-7-25(31)32/h1-3,5-6,8-9,15-17,29H,4,7,10-14H2
InChIKeyKDRGJOHIMQIJCW-UHFFFAOYSA-N
MW497.57 g/mol
LogP4.50
Rot. Bonds7

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

N-(2,4-difluorophenyl)-7-(2-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 122179038) has the molecular formula C26H25F2N3O3S and a molecular weight of 497.57 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-7-(2-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-7-(2-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID122179038
Molecular FormulaC26H25F2N3O3S
Molecular Weight497.57 g/mol
Exact Mass497.16
IUPAC NameN-(2,4-difluorophenyl)-7-(2-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C1CCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccccc1)CC2
InChIInChI=1S/C26H25F2N3O3S/c27-20-8-9-23(22(28)16-20)29-35(33,34)21-15-19-11-14-30(13-10-18-5-2-1-3-6-18)26(19)24(17-21)31-12-4-7-25(31)32/h1-3,5-6,8-9,15-17,29H,4,7,10-14H2
InChIKeyKDRGJOHIMQIJCW-UHFFFAOYSA-N
XLogP4.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 54.50
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-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-7-(2-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide (CID 122179038) is N-(2,4-difluorophenyl)-7-(2-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-7-(2-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-7-(2-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide is O=C1CCCN1c1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccccc1)CC2.
What is the InChIKey of N-(2,4-difluorophenyl)-7-(2-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is KDRGJOHIMQIJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O3S/c27-20-8-9-23(22(28)16-20)29-35(33,34)21-15-19-11-14-30(13-10-18-5-2-1-3-6-18)26(19)24(17-21)31-12-4-7-25(31)32/h1-3,5-6,8-9,15-17,29H,4,7,10-14H2.
What are the key properties of N-(2,4-difluorophenyl)-7-(2-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
N-(2,4-difluorophenyl)-7-(2-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 497.57 g/mol, XLogP of 4.50, 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-oxopyrrolidin-1-yl)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 122179038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).