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

C23H23F2N3O2S — CID 122179037

IUPACN-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
SMILESCNc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccccc1)CC2
InChIInChI=1S/C23H23F2N3O2S/c1-26-22-15-19(31(29,30)27-21-8-7-18(24)14-20(21)25)13-17-10-12-28(23(17)22)11-9-16-5-3-2-4-6-16/h2-8,13-15,26-27H,9-12H2,1H3
InChIKeyGAXGDOLFQYHGPD-UHFFFAOYSA-N
MW443.52 g/mol
LogP4.41
Rot. Bonds7

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

N-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 122179037) has the molecular formula C23H23F2N3O2S and a molecular weight of 443.52 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID122179037
Molecular FormulaC23H23F2N3O2S
Molecular Weight443.52 g/mol
Exact Mass443.15
IUPAC NameN-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
SMILESCNc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccccc1)CC2
InChIInChI=1S/C23H23F2N3O2S/c1-26-22-15-19(31(29,30)27-21-8-7-18(24)14-20(21)25)13-17-10-12-28(23(17)22)11-9-16-5-3-2-4-6-16/h2-8,13-15,26-27H,9-12H2,1H3
InChIKeyGAXGDOLFQYHGPD-UHFFFAOYSA-N
XLogP4.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide (CID 122179037) is N-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide is CNc1cc(S(=O)(=O)Nc2ccc(F)cc2F)cc2c1N(CCc1ccccc1)CC2.
What is the InChIKey of N-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is GAXGDOLFQYHGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O2S/c1-26-22-15-19(31(29,30)27-21-8-7-18(24)14-20(21)25)13-17-10-12-28(23(17)22)11-9-16-5-3-2-4-6-16/h2-8,13-15,26-27H,9-12H2,1H3.
What are the key properties of N-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide?
N-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 443.52 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-7-(methylamino)-1-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 122179037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).