N-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide

C20H23FN2O5S — CID 10202444

IUPACN-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide
SMILESCOc1cc(N(CCF)S(=O)(=O)c2ccc3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C20H23FN2O5S/c1-22-9-7-14-11-16(5-6-17(14)22)29(24,25)23(10-8-21)15-12-18(26-2)20(28-4)19(13-15)27-3/h5-7,9,11-13H,8,10H2,1-4H3
InChIKeyCOGFZDMHBQJXHM-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.37
Rot. Bonds8

About N-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide

N-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide (PubChem CID 10202444) has the molecular formula C20H23FN2O5S and a molecular weight of 422.48 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide
PubChem CID10202444
Molecular FormulaC20H23FN2O5S
Molecular Weight422.48 g/mol
Exact Mass422.13
IUPAC NameN-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide
SMILESCOc1cc(N(CCF)S(=O)(=O)c2ccc3c(ccn3C)c2)cc(OC)c1OC
InChIInChI=1S/C20H23FN2O5S/c1-22-9-7-14-11-16(5-6-17(14)22)29(24,25)23(10-8-21)15-12-18(26-2)20(28-4)19(13-15)27-3/h5-7,9,11-13H,8,10H2,1-4H3
InChIKeyCOGFZDMHBQJXHM-UHFFFAOYSA-N
XLogP3.37
TPSA70.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,1-dimethyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide
CID 10157209
N-(2-hydroxyethyl)-3,4,5-trimethoxy-N-(1-methylindol-5-yl)benzenesulfonamide
CID 10194613
1-methyl-N-propyl-N-(3,4,5-trimethoxyphenyl)indol-5-amine
CID 90671569
4-tert-butyl-N-[(4-methoxyphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 162671390
5-methoxy-1-methylindole
CID 819864
N-[2-(dimethylamino)ethyl]-3,4,5-trimethoxy-N-(1-methylindol-3-yl)benzenesulfonamide
CID 57230069
5-(diethylsulfamoyl)-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]indole-2-carboxamide
CID 50801966
4-methoxy-N-methyl-3-nitro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 22344731
5,6,7-trimethoxy-1-methylindole
CID 141308126
N-[(3,4-dimethoxyphenyl)methyl]-1-methylindol-5-amine
CID 82538657
N-[(4-methoxyphenyl)methyl]-1-methylindol-5-amine
CID 82539031
N-nitro-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 91547524

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide?
The IUPAC name of N-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide (CID 10202444) is N-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide.
What is the SMILES notation for N-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide?
The canonical SMILES for N-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide is COc1cc(N(CCF)S(=O)(=O)c2ccc3c(ccn3C)c2)cc(OC)c1OC.
What is the InChIKey of N-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide?
The InChIKey is COGFZDMHBQJXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O5S/c1-22-9-7-14-11-16(5-6-17(14)22)29(24,25)23(10-8-21)15-12-18(26-2)20(28-4)19(13-15)27-3/h5-7,9,11-13H,8,10H2,1-4H3.
What are the key properties of N-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide?
N-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide has a molecular weight of 422.48 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)indole-5-sulfonamide is sourced from PubChem (CID 10202444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).