N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide

C20H21FN2O2S — CID 53320087

IUPACN-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
SMILESCC(c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1
InChIInChI=1S/C20H21FN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3
InChIKeyMIAURGNSNSBTNK-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.39
Rot. Bonds5

About N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide

N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide (PubChem CID 53320087) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
PubChem CID53320087
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC NameN-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
SMILESCC(c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1
InChIInChI=1S/C20H21FN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3
InChIKeyMIAURGNSNSBTNK-UHFFFAOYSA-N
XLogP4.39
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
The IUPAC name of N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide (CID 53320087) is N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
The canonical SMILES for N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide is CC(c1ccc(F)cc1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1.
What is the InChIKey of N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
The InChIKey is MIAURGNSNSBTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3.
What are the key properties of N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide has a molecular weight of 372.47 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide is sourced from PubChem (CID 53320087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).