N-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide

C23H18F4N2O3S — CID 141421584

IUPACN-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2ccn(-c3cc(OCC(F)F)cc(-c4ccc(F)cc4F)c3)c2c1
InChIInChI=1S/C23H18F4N2O3S/c1-33(30,31)28-17-4-2-14-6-7-29(22(14)11-17)18-8-15(9-19(12-18)32-13-23(26)27)20-5-3-16(24)10-21(20)25/h2-12,23,28H,13H2,1H3
InChIKeyGZOYSIXLAPPVKV-UHFFFAOYSA-N
MW478.47 g/mol
LogP5.59
Rot. Bonds7

About N-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide

N-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide (PubChem CID 141421584) has the molecular formula C23H18F4N2O3S and a molecular weight of 478.47 g/mol. Its IUPAC name is N-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide
PubChem CID141421584
Molecular FormulaC23H18F4N2O3S
Molecular Weight478.47 g/mol
Exact Mass478.10
IUPAC NameN-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc2ccn(-c3cc(OCC(F)F)cc(-c4ccc(F)cc4F)c3)c2c1
InChIInChI=1S/C23H18F4N2O3S/c1-33(30,31)28-17-4-2-14-6-7-29(22(14)11-17)18-8-15(9-19(12-18)32-13-23(26)27)20-5-3-16(24)10-21(20)25/h2-12,23,28H,13H2,1H3
InChIKeyGZOYSIXLAPPVKV-UHFFFAOYSA-N
XLogP5.59
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.47
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-(4-cyano-3-methoxyphenyl)-1-isopropyl-1H-indol-6-yl)methanesulfonamide
CID 24739834
N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide
CID 58694370
3-(4-(3,4-difluorophenoxy)-1-methyl-1H-indol-3-yl)-N-(3,4-difluorophenylsulfonyl)acrylamide
CID 44564806
3-(4-(2,4-difluorophenoxy)-1-methyl-1H-indol-3-yl)-N-(3,4-difluorophenylsulfonyl)acrylamide
CID 44564807
N-[2-(5-phenylmethoxy-1H-indol-3-yl)ethyl]methanesulfonamide
CID 172654928
1-[3-(4-Fluorophenoxy)propyl]-6-methoxy-3-(piperidin-1-ylmethyl)indole
CID 145953400
N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]butane-1-sulfonamide
CID 49771930
N-[4-[3-cyano-1-cyclobutyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide
CID 49772988
N-[4-[3-cyano-1-cyclopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide
CID 49772993
N-[4-[3-cyano-1-isopropyl-6-(2,2,2-trifluoroethoxy)indol-2-yl]phenyl]cyclopropanesulfonamide
CID 49773060
N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]methanesulfonamide
CID 49773104
N-[4-[3-cyano-1-cyclobutyl-6-(2,2-difluoroethoxy)indol-2-yl]phenyl]ethanesulfonamide
CID 49773106

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide?
The IUPAC name of N-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide (CID 141421584) is N-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2ccn(-c3cc(OCC(F)F)cc(-c4ccc(F)cc4F)c3)c2c1.
What is the InChIKey of N-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide?
The InChIKey is GZOYSIXLAPPVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N2O3S/c1-33(30,31)28-17-4-2-14-6-7-29(22(14)11-17)18-8-15(9-19(12-18)32-13-23(26)27)20-5-3-16(24)10-21(20)25/h2-12,23,28H,13H2,1H3.
What are the key properties of N-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide?
N-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide has a molecular weight of 478.47 g/mol, XLogP of 5.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(2,2-difluoroethoxy)-5-(2,4-difluorophenyl)phenyl]indol-6-yl]methanesulfonamide is sourced from PubChem (CID 141421584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).