N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide

C21H26FN3O2S — CID 174406027

IUPACN-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide
SMILESCCN1CCC(N2CCc3ccc(NS(=O)(=O)c4ccccc4F)cc32)CC1
InChIInChI=1S/C21H26FN3O2S/c1-2-24-12-10-18(11-13-24)25-14-9-16-7-8-17(15-20(16)25)23-28(26,27)21-6-4-3-5-19(21)22/h3-8,15,18,23H,2,9-14H2,1H3
InChIKeyHPDVQTYHVPVRLK-UHFFFAOYSA-N
MW403.52 g/mol
LogP3.47
Rot. Bonds5

About N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide

N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide (PubChem CID 174406027) has the molecular formula C21H26FN3O2S and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide
PubChem CID174406027
Molecular FormulaC21H26FN3O2S
Molecular Weight403.52 g/mol
Exact Mass403.17
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide
SMILESCCN1CCC(N2CCc3ccc(NS(=O)(=O)c4ccccc4F)cc32)CC1
InChIInChI=1S/C21H26FN3O2S/c1-2-24-12-10-18(11-13-24)25-14-9-16-7-8-17(15-20(16)25)23-28(26,27)21-6-4-3-5-19(21)22/h3-8,15,18,23H,2,9-14H2,1H3
InChIKeyHPDVQTYHVPVRLK-UHFFFAOYSA-N
XLogP3.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[1-(1-methylpiperidin-4-yl)-2,3-dihydroindol-6-yl]benzenesulfonamide
CID 174391222
N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-fluorobenzenesulfonamide
CID 16926534
2-fluoro-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)benzenesulfonamide
CID 7517968
4-fluoro-N-[1-[1-(4-fluorophenyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzenesulfonamide
CID 18427426
ethane;1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;vanadium
CID 161158486
2-fluoro-N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzenesulfonamide
CID 16926634
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-fluorobenzenesulfonamide
CID 18565180
2-fluoro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzenesulfonamide
CID 42448394
1-(1-ethylpiperidin-4-yl)-6-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydroindole
CID 174441483
N-[[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 174378639
N-(9H-fluoren-3-yl)-2-fluorobenzenesulfonamide
CID 8516716
N-[1-[1-[2-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetamide
CID 22038010

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide (CID 174406027) is N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide is CCN1CCC(N2CCc3ccc(NS(=O)(=O)c4ccccc4F)cc32)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide?
The InChIKey is HPDVQTYHVPVRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O2S/c1-2-24-12-10-18(11-13-24)25-14-9-16-7-8-17(15-20(16)25)23-28(26,27)21-6-4-3-5-19(21)22/h3-8,15,18,23H,2,9-14H2,1H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide?
N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide has a molecular weight of 403.52 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 174406027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).