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

C20H21FN2O3S — CID 24743633

IUPAC1-(2,5-dimethylfuran-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCc1cc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)c(C)o1
InChIInChI=1S/C20H21FN2O3S/c1-13-10-20(14(2)26-13)27(24,25)23-12-18(15-6-8-22(3)9-7-15)17-11-16(21)4-5-19(17)23/h4-6,10-12H,7-9H2,1-3H3
InChIKeyVEXSQXNBCSYDPZ-UHFFFAOYSA-N
MW388.46 g/mol
LogP3.95
Rot. Bonds3

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

1-(2,5-dimethylfuran-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (PubChem CID 24743633) has the molecular formula C20H21FN2O3S and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.

Molecular Properties

Compound Name1-(2,5-dimethylfuran-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
PubChem CID24743633
Molecular FormulaC20H21FN2O3S
Molecular Weight388.46 g/mol
Exact Mass388.13
IUPAC Name1-(2,5-dimethylfuran-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole
SMILESCc1cc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)c(C)o1
InChIInChI=1S/C20H21FN2O3S/c1-13-10-20(14(2)26-13)27(24,25)23-12-18(15-6-8-22(3)9-7-15)17-11-16(21)4-5-19(17)23/h4-6,10-12H,7-9H2,1-3H3
InChIKeyVEXSQXNBCSYDPZ-UHFFFAOYSA-N
XLogP3.95
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The IUPAC name of 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole (CID 24743633) is 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole.
What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is Cc1cc(S(=O)(=O)n2cc(C3=CCN(C)CC3)c3cc(F)ccc32)c(C)o1.
What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
The InChIKey is VEXSQXNBCSYDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3S/c1-13-10-20(14(2)26-13)27(24,25)23-12-18(15-6-8-22(3)9-7-15)17-11-16(21)4-5-19(17)23/h4-6,10-12H,7-9H2,1-3H3.
What are the key properties of 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole?
1-(2,5-dimethylfuran-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole has a molecular weight of 388.46 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylfuran-3-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole is sourced from PubChem (CID 24743633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).