5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile

C16H16FN3O2S — CID 25003909

IUPAC5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile
SMILESCCS(=O)(=O)N1CCc2cc(-c3ccc(C#N)n3C)cc(F)c21
InChIInChI=1S/C16H16FN3O2S/c1-3-23(21,22)20-7-6-11-8-12(9-14(17)16(11)20)15-5-4-13(10-18)19(15)2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyNIFJCOWDJLVUCC-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.42
Rot. Bonds3

About 5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile

5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile (PubChem CID 25003909) has the molecular formula C16H16FN3O2S and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile
PubChem CID25003909
Molecular FormulaC16H16FN3O2S
Molecular Weight333.39 g/mol
Exact Mass333.09
IUPAC Name5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile
SMILESCCS(=O)(=O)N1CCc2cc(-c3ccc(C#N)n3C)cc(F)c21
InChIInChI=1S/C16H16FN3O2S/c1-3-23(21,22)20-7-6-11-8-12(9-14(17)16(11)20)15-5-4-13(10-18)19(15)2/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyNIFJCOWDJLVUCC-UHFFFAOYSA-N
XLogP2.42
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-amino-3-fluorophenyl)-1-methylpyrrole-2-carbonitrile
CID 15604500
1-ethylsulfonyl-5-fluoro-2,3-dihydroindole
CID 110713992
5-(2,6-difluorophenyl)-1-methylpyrrole-2-carbonitrile
CID 90718539
2-[4-(5-cyano-1-methylpyrrol-2-yl)-2,5-difluorophenyl]ethanesulfonamide
CID 90902441
4-[4-(5-cyano-1-methylpyrrol-2-yl)-3,5-difluorophenyl]butane-1-sulfonamide
CID 91437193
N-[4-(5-cyano-1-methylpyrrol-2-yl)-2,5-difluorophenyl]propane-1-sulfonamide;propane-1-sulfonyl chloride
CID 158955394
4-(5-cyano-1-methylpyrrol-2-yl)-N-cyclopropylbenzenesulfonamide
CID 24896574
N-[5-(5-cyano-1-methylpyrrol-2-yl)-2-fluorophenyl]-2-methylpropanamide
CID 155809311
N-[4-(5-cyano-1-methylpyrrol-2-yl)phenyl]propane-2-sulfonamide
CID 15604499
5-(2,4-difluorophenoxy)-1-ethylsulfonyl-2,3-dihydroindol-6-ol
CID 167433379
1-ethylsulfonyl-6-nitro-2,3-dihydroindole
CID 110287378
[2-(1-ethylsulfonyl-2,3-dihydroindol-5-yl)-2-oxoethyl] 2-fluorobenzoate
CID 8588857

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile?
The IUPAC name of 5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile (CID 25003909) is 5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile.
What is the SMILES notation for 5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile?
The canonical SMILES for 5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile is CCS(=O)(=O)N1CCc2cc(-c3ccc(C#N)n3C)cc(F)c21.
What is the InChIKey of 5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile?
The InChIKey is NIFJCOWDJLVUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2S/c1-3-23(21,22)20-7-6-11-8-12(9-14(17)16(11)20)15-5-4-13(10-18)19(15)2/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile?
5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile has a molecular weight of 333.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylsulfonyl-7-fluoro-2,3-dihydroindol-5-yl)-1-methylpyrrole-2-carbonitrile is sourced from PubChem (CID 25003909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).