4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide

C20H21FN2O2S — CID 113085390

IUPAC4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2(c3c[nH]c4cc(F)ccc34)CC2)cc1
InChIInChI=1S/C20H21FN2O2S/c1-2-14-3-6-16(7-4-14)26(24,25)23-13-20(9-10-20)18-12-22-19-11-15(21)5-8-17(18)19/h3-8,11-12,22-23H,2,9-10,13H2,1H3
InChIKeyQODOUWNWADDGOD-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.88
Rot. Bonds6

About 4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide

4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide (PubChem CID 113085390) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
PubChem CID113085390
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC Name4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2(c3c[nH]c4cc(F)ccc34)CC2)cc1
InChIInChI=1S/C20H21FN2O2S/c1-2-14-3-6-16(7-4-14)26(24,25)23-13-20(9-10-20)18-12-22-19-11-15(21)5-8-17(18)19/h3-8,11-12,22-23H,2,9-10,13H2,1H3
InChIKeyQODOUWNWADDGOD-UHFFFAOYSA-N
XLogP3.88
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Sumatriptan
CID 5358
Naratriptan
CID 4440
Naratriptan Hydrochloride
CID 60875
Vonoprazan
CID 15981397
N-[[4-(4-fluorophenyl)phenyl]methyl]-1H-indole-2-sulfonamide
CID 66547073
N-(2-(3-Indolyl)ethyl)-P-toluenesulfonamide
CID 2737722
1-(Phenylsulfonyl)-1H-indole
CID 315017
1-Benzenesulfonyl-3-piperidin-3-yl-1H-indole
CID 9902533
1-(Phenylsulfonyl)-4-(1-piperazinyl)-1h-indole
CID 10154392
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
Dansyltryptamine
CID 582771
pyrrolidinylindole, (R)-5b
CID 11351089

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide?
The IUPAC name of 4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide (CID 113085390) is 4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide is CCc1ccc(S(=O)(=O)NCC2(c3c[nH]c4cc(F)ccc34)CC2)cc1.
What is the InChIKey of 4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide?
The InChIKey is QODOUWNWADDGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-2-14-3-6-16(7-4-14)26(24,25)23-13-20(9-10-20)18-12-22-19-11-15(21)5-8-17(18)19/h3-8,11-12,22-23H,2,9-10,13H2,1H3.
What are the key properties of 4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide?
4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide has a molecular weight of 372.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide is sourced from PubChem (CID 113085390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).