[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C25H21FN2O4S — CID 55727889

IUPAC[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C25H21FN2O4S/c26-18-6-8-21-22(15-27-23(21)14-18)17-10-12-28(13-11-17)25(29)24-9-7-19(32-24)16-33(30,31)20-4-2-1-3-5-20/h1-10,14-15,27H,11-13,16H2
InChIKeyWNCVJEFJRIENTL-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.80
Rot. Bonds5

About [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone

[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 55727889) has the molecular formula C25H21FN2O4S and a molecular weight of 464.52 g/mol. Its IUPAC name is [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Name[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID55727889
Molecular FormulaC25H21FN2O4S
Molecular Weight464.52 g/mol
Exact Mass464.12
IUPAC Name[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESO=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1
InChIInChI=1S/C25H21FN2O4S/c26-18-6-8-21-22(15-27-23(21)14-18)17-10-12-28(13-11-17)25(29)24-9-7-19(32-24)16-33(30,31)20-4-2-1-3-5-20/h1-10,14-15,27H,11-13,16H2
InChIKeyWNCVJEFJRIENTL-UHFFFAOYSA-N
XLogP4.80
TPSA83.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chlorophenyl)-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113087028
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-4-phenylbutan-1-one
CID 60516306
[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(2,4,6-trimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 42280815
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087040
4-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]sulfonylpiperazin-2-one
CID 55728730
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 55730517
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 75452399
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113086869
4-(6-fluoro-1H-indol-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113087048
N-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-phenoxyacetamide
CID 55727952
N-[3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]phenyl]propanamide
CID 55849171
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113087091

Frequently Asked Questions

What is the IUPAC name of [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 55727889) is [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1.
What is the InChIKey of [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is WNCVJEFJRIENTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O4S/c26-18-6-8-21-22(15-27-23(21)14-18)17-10-12-28(13-11-17)25(29)24-9-7-19(32-24)16-33(30,31)20-4-2-1-3-5-20/h1-10,14-15,27H,11-13,16H2.
What are the key properties of [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
[5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 464.52 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 [5-(benzenesulfonylmethyl)furan-2-yl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 55727889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).