N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide

C14H17FN2O2S — CID 113085086

IUPACN-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C14H17FN2O2S/c1-2-20(18,19)17-9-14(5-6-14)12-8-16-13-4-3-10(15)7-11(12)13/h3-4,7-8,16-17H,2,5-6,9H2,1H3
InChIKeyKKAZZWGXSHYYSL-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.28
Rot. Bonds5

About N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide

N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide (PubChem CID 113085086) has the molecular formula C14H17FN2O2S and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide
PubChem CID113085086
Molecular FormulaC14H17FN2O2S
Molecular Weight296.37 g/mol
Exact Mass296.10
IUPAC NameN-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC1(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C14H17FN2O2S/c1-2-20(18,19)17-9-14(5-6-14)12-8-16-13-4-3-10(15)7-11(12)13/h3-4,7-8,16-17H,2,5-6,9H2,1H3
InChIKeyKKAZZWGXSHYYSL-UHFFFAOYSA-N
XLogP2.28
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide 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

N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propane-1-sulfonamide
CID 113085087
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]propanamide
CID 113085017
4-ethyl-N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113085390
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3-phenylpropane-1-sulfonamide
CID 113085407
4-bromo-N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]benzamide
CID 113085038
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085412
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-4-propan-2-ylbenzenesulfonamide
CID 113085392
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2,5-dimethylbenzenesulfonamide
CID 113085389
4-ethyl-N-[[1-(5-methoxy-1H-indol-3-yl)cyclopropyl]methyl]benzenesulfonamide
CID 113085291
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 113085410
N-[[1-(6-fluoro-1H-indol-3-yl)cyclopropyl]methyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113085398
N-[[1-(5-chloro-1H-indol-3-yl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 113085207

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide?
The IUPAC name of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide (CID 113085086) is N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide?
The canonical SMILES for N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide is CCS(=O)(=O)NCC1(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide?
The InChIKey is KKAZZWGXSHYYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O2S/c1-2-20(18,19)17-9-14(5-6-14)12-8-16-13-4-3-10(15)7-11(12)13/h3-4,7-8,16-17H,2,5-6,9H2,1H3.
What are the key properties of N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide?
N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide has a molecular weight of 296.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-fluoro-1H-indol-3-yl)cyclopropyl]methyl]ethanesulfonamide is sourced from PubChem (CID 113085086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).