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

C20H24FN3O2S — CID 174391222

IUPAC2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide
SMILESCN1CCC(N2CCc3ccc(NS(=O)(=O)c4ccccc4F)cc32)CC1
InChIInChI=1S/C20H24FN3O2S/c1-23-11-9-17(10-12-23)24-13-8-15-6-7-16(14-19(15)24)22-27(25,26)20-5-3-2-4-18(20)21/h2-7,14,17,22H,8-13H2,1H3
InChIKeyDOUYNWRSQUUWLO-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.08
Rot. Bonds4

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

2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide (PubChem CID 174391222) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide
PubChem CID174391222
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC Name2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide
SMILESCN1CCC(N2CCc3ccc(NS(=O)(=O)c4ccccc4F)cc32)CC1
InChIInChI=1S/C20H24FN3O2S/c1-23-11-9-17(10-12-23)24-13-8-15-6-7-16(14-19(15)24)22-27(25,26)20-5-3-2-4-18(20)21/h2-7,14,17,22H,8-13H2,1H3
InChIKeyDOUYNWRSQUUWLO-UHFFFAOYSA-N
XLogP3.08
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide (CID 174391222) is 2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide is CN1CCC(N2CCc3ccc(NS(=O)(=O)c4ccccc4F)cc32)CC1.
What is the InChIKey of 2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide?
The InChIKey is DOUYNWRSQUUWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c1-23-11-9-17(10-12-23)24-13-8-15-6-7-16(14-19(15)24)22-27(25,26)20-5-3-2-4-18(20)21/h2-7,14,17,22H,8-13H2,1H3.
What are the key properties of 2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide?
2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide has a molecular weight of 389.50 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide is sourced from PubChem (CID 174391222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).