N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide

C19H19FN2O2S — CID 56874713

IUPACN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide
SMILESCc1c(-c2ccccc2F)[nH]c2ccc(CNS(=O)(=O)C3CC3)cc12
InChIInChI=1S/C19H19FN2O2S/c1-12-16-10-13(11-21-25(23,24)14-7-8-14)6-9-18(16)22-19(12)15-4-2-3-5-17(15)20/h2-6,9-10,14,21-22H,7-8,11H2,1H3
InChIKeyUAXXVZYVHYSVGW-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.86
Rot. Bonds5

About N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide

N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide (PubChem CID 56874713) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide
PubChem CID56874713
Molecular FormulaC19H19FN2O2S
Molecular Weight358.44 g/mol
Exact Mass358.12
IUPAC NameN-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide
SMILESCc1c(-c2ccccc2F)[nH]c2ccc(CNS(=O)(=O)C3CC3)cc12
InChIInChI=1S/C19H19FN2O2S/c1-12-16-10-13(11-21-25(23,24)14-7-8-14)6-9-18(16)22-19(12)15-4-2-3-5-17(15)20/h2-6,9-10,14,21-22H,7-8,11H2,1H3
InChIKeyUAXXVZYVHYSVGW-UHFFFAOYSA-N
XLogP3.86
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide?
The IUPAC name of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide (CID 56874713) is N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide?
The canonical SMILES for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide is Cc1c(-c2ccccc2F)[nH]c2ccc(CNS(=O)(=O)C3CC3)cc12.
What is the InChIKey of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide?
The InChIKey is UAXXVZYVHYSVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-12-16-10-13(11-21-25(23,24)14-7-8-14)6-9-18(16)22-19(12)15-4-2-3-5-17(15)20/h2-6,9-10,14,21-22H,7-8,11H2,1H3.
What are the key properties of N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide?
N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide has a molecular weight of 358.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]cyclopropanesulfonamide is sourced from PubChem (CID 56874713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).