4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide

C25H25F2N3O2S — CID 18427426

IUPAC4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)N(C1CCN(c3ccc(F)cc3)CC1)CC2)c1ccc(F)cc1
InChIInChI=1S/C25H25F2N3O2S/c26-19-2-7-22(8-3-19)29-14-12-23(13-15-29)30-16-11-18-1-6-21(17-25(18)30)28-33(31,32)24-9-4-20(27)5-10-24/h1-10,17,23,28H,11-16H2
InChIKeyCBYWQASWWRTMCN-UHFFFAOYSA-N
MW469.56 g/mol
LogP4.80
Rot. Bonds5

About 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide

4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide (PubChem CID 18427426) has the molecular formula C25H25F2N3O2S and a molecular weight of 469.56 g/mol. Its IUPAC name is 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide
PubChem CID18427426
Molecular FormulaC25H25F2N3O2S
Molecular Weight469.56 g/mol
Exact Mass469.16
IUPAC Name4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)N(C1CCN(c3ccc(F)cc3)CC1)CC2)c1ccc(F)cc1
InChIInChI=1S/C25H25F2N3O2S/c26-19-2-7-22(8-3-19)29-14-12-23(13-15-29)30-16-11-18-1-6-21(17-25(18)30)28-33(31,32)24-9-4-20(27)5-10-24/h1-10,17,23,28H,11-16H2
InChIKeyCBYWQASWWRTMCN-UHFFFAOYSA-N
XLogP4.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.56
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide (CID 18427426) is 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)N(C1CCN(c3ccc(F)cc3)CC1)CC2)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide?
The InChIKey is CBYWQASWWRTMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O2S/c26-19-2-7-22(8-3-19)29-14-12-23(13-15-29)30-16-11-18-1-6-21(17-25(18)30)28-33(31,32)24-9-4-20(27)5-10-24/h1-10,17,23,28H,11-16H2.
What are the key properties of 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide?
4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide has a molecular weight of 469.56 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide is sourced from PubChem (CID 18427426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).