1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

C22H21FN2O4S — CID 68603216

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)OCCO4)c3ccc(F)cc23)CC1
InChIInChI=1S/C22H21FN2O4S/c1-24-8-6-15(7-9-24)19-14-25(20-4-2-16(23)12-18(19)20)30(26,27)17-3-5-21-22(13-17)29-11-10-28-21/h2-6,12-14H,7-11H2,1H3
InChIKeyNBCORIRUJJNOJB-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.51
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole

1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (PubChem CID 68603216) has the molecular formula C22H21FN2O4S and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
PubChem CID68603216
Molecular FormulaC22H21FN2O4S
Molecular Weight428.49 g/mol
Exact Mass428.12
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)OCCO4)c3ccc(F)cc23)CC1
InChIInChI=1S/C22H21FN2O4S/c1-24-8-6-15(7-9-24)19-14-25(20-4-2-16(23)12-18(19)20)30(26,27)17-3-5-21-22(13-17)29-11-10-28-21/h2-6,12-14H,7-11H2,1H3
InChIKeyNBCORIRUJJNOJB-UHFFFAOYSA-N
XLogP3.51
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline
CID 59259410
6-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1-methyl-3,4-dihydroquinolin-2-one;bis(1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one)
CID 157304519
N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline
CID 160697018
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylindole
CID 24743560
1-(4-chlorophenyl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole;hydrochloride
CID 23288080
N,N-dimethyl-3-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline
CID 24743941
1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
CID 59259430
[1-(benzenesulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl] benzenesulfonate
CID 10279089
6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-1,3-benzothiazole
CID 24743700
5-fluoro-1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;7-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4H-1,4-benzoxazin-3-one;1-[[6-(3-methoxypyrrolidin-1-yl)-3-pyridinyl]sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine
CID 159092849
1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-[(1-ethyl-2,3-dihydroindol-6-yl)sulfonyl]-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
CID 160886313
5,7-difluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-(2,4,6-trimethylphenyl)sulfonylindole
CID 23288089

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (CID 68603216) is 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)OCCO4)c3ccc(F)cc23)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The InChIKey is NBCORIRUJJNOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4S/c1-24-8-6-15(7-9-24)19-14-25(20-4-2-16(23)12-18(19)20)30(26,27)17-3-5-21-22(13-17)29-11-10-28-21/h2-6,12-14H,7-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole has a molecular weight of 428.49 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is sourced from PubChem (CID 68603216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).