N-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide

C20H20F2N2O2S — CID 24749684

IUPACN-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
SMILESC[C@](c1ccc(F)cc1F)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1
InChIInChI=1S/C20H20F2N2O2S/c1-20(12-6-7-12,15-9-8-13(21)10-17(15)22)16-11-23-19-14(16)4-3-5-18(19)24-27(2,25)26/h3-5,8-12,23-24H,6-7H2,1-2H3/t20-/m0/s1
InChIKeyNOUXCOKPRXVTDP-FQEVSTJZSA-N
MW390.46 g/mol
LogP4.53
Rot. Bonds5

About N-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide

N-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide (PubChem CID 24749684) has the molecular formula C20H20F2N2O2S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
PubChem CID24749684
Molecular FormulaC20H20F2N2O2S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide
SMILESC[C@](c1ccc(F)cc1F)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1
InChIInChI=1S/C20H20F2N2O2S/c1-20(12-6-7-12,15-9-8-13(21)10-17(15)22)16-11-23-19-14(16)4-3-5-18(19)24-27(2,25)26/h3-5,8-12,23-24H,6-7H2,1-2H3/t20-/m0/s1
InChIKeyNOUXCOKPRXVTDP-FQEVSTJZSA-N
XLogP4.53
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
The IUPAC name of N-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide (CID 24749684) is N-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide.
What is the SMILES notation for N-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
The canonical SMILES for N-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide is C[C@](c1ccc(F)cc1F)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)C1CC1.
What is the InChIKey of N-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
The InChIKey is NOUXCOKPRXVTDP-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20F2N2O2S/c1-20(12-6-7-12,15-9-8-13(21)10-17(15)22)16-11-23-19-14(16)4-3-5-18(19)24-27(2,25)26/h3-5,8-12,23-24H,6-7H2,1-2H3/t20-/m0/s1.
What are the key properties of N-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide?
N-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide has a molecular weight of 390.46 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-cyclopropyl-1-(2,4-difluorophenyl)ethyl]-1H-indol-7-yl]methanesulfonamide is sourced from PubChem (CID 24749684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).