N-[3-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide

C20H21FN2O2S — CID 58731329

IUPACN-[3-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
SMILESC[C@@](c1ccccc1F)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1
InChIInChI=1S/C20H21FN2O2S/c1-20(13-10-11-13,15-7-3-4-8-17(15)21)16-12-22-19-14(16)6-5-9-18(19)23-26(2,24)25/h3-9,12-13,22-23H,10-11H2,1-2H3/t20-/m1/s1
InChIKeyOWCOWTGBEVDFKW-HXUWFJFHSA-N
MW372.47 g/mol
LogP4.39
Rot. Bonds5

About N-[3-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide

N-[3-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide (PubChem CID 58731329) has the molecular formula C20H21FN2O2S and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[3-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
PubChem CID58731329
Molecular FormulaC20H21FN2O2S
Molecular Weight372.47 g/mol
Exact Mass372.13
IUPAC NameN-[3-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
SMILESC[C@@](c1ccccc1F)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1
InChIInChI=1S/C20H21FN2O2S/c1-20(13-10-11-13,15-7-3-4-8-17(15)21)16-12-22-19-14(16)6-5-9-18(19)23-26(2,24)25/h3-9,12-13,22-23H,10-11H2,1-2H3/t20-/m1/s1
InChIKeyOWCOWTGBEVDFKW-HXUWFJFHSA-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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Related Compounds

LY 367265
CID 4605800
N-[2-(1H-indol-3-yl)ethyl]benzenesulfonamide
CID 2475352
1-(2-(4-((5-Fluoro-1H-indol-3-yl)methyl)-1-piperidinyl)ethyl)-5,6-dihydro-1H,4H-1,2,5-thiadiazolo(4,3,2-ij)quinoline 2,2-dioxide
CID 183775
n-(1h-Indol-7-yl)methanesulfonamide
CID 20231824
(S)-N-(3-(1-cyclopropyl-1-(2,4-difluorophenyl)ethyl)-1H-indol-7-yl)methanesulfonamide
CID 24749808
N-[3-[1-cyclopropyl-1-(4-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
CID 53320087
PI5P4Kalpha-IN-1
CID 155524400
4-fluoro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11280663
2-fluoro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11749539
4-fluoro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]benzenesulfonamide
CID 3161290
N-(1-(1H-indol-3-yl)propan-2-yl)-4-tert-butylbenzenesulfonamide
CID 3816305
N-(1-(1H-indol-3-yl)propan-2-yl)-4-isopropylbenzenesulfonamide
CID 5185174

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
The IUPAC name of N-[3-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide (CID 58731329) is N-[3-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
The canonical SMILES for N-[3-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide is C[C@@](c1ccccc1F)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1.
What is the InChIKey of N-[3-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
The InChIKey is OWCOWTGBEVDFKW-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H21FN2O2S/c1-20(13-10-11-13,15-7-3-4-8-17(15)21)16-12-22-19-14(16)6-5-9-18(19)23-26(2,24)25/h3-9,12-13,22-23H,10-11H2,1-2H3/t20-/m1/s1.
What are the key properties of N-[3-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
N-[3-[(1S)-1-cyclopropyl-1-(2-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-[(1S)-1-cyclopropyl-1-(2-fluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide is sourced from PubChem (CID 58731329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).