1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide

C19H20F2N2O4S — CID 55703530

IUPAC1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(C)c3cccc(OC(F)F)c3)ccc21
InChIInChI=1S/C19H20F2N2O4S/c1-12(14-4-3-5-16(10-14)27-19(20)21)22-28(25,26)17-6-7-18-15(11-17)8-9-23(18)13(2)24/h3-7,10-12,19,22H,8-9H2,1-2H3
InChIKeyXHZAEHNFQOLIRZ-UHFFFAOYSA-N
MW410.44 g/mol
LogP3.24
Rot. Bonds6

About 1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 55703530) has the molecular formula C19H20F2N2O4S and a molecular weight of 410.44 g/mol. Its IUPAC name is 1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID55703530
Molecular FormulaC19H20F2N2O4S
Molecular Weight410.44 g/mol
Exact Mass410.11
IUPAC Name1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NC(C)c3cccc(OC(F)F)c3)ccc21
InChIInChI=1S/C19H20F2N2O4S/c1-12(14-4-3-5-16(10-14)27-19(20)21)22-28(25,26)17-6-7-18-15(11-17)8-9-23(18)13(2)24/h3-7,10-12,19,22H,8-9H2,1-2H3
InChIKeyXHZAEHNFQOLIRZ-UHFFFAOYSA-N
XLogP3.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 55703432
1-acetyl-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 26545548
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-fluorobenzenesulfonamide
CID 47034978
1-acetyl-N-[1-(1,3-benzothiazol-2-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46970376
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-4-methyl-N-(1-phenylethyl)pentanamide
CID 122175087
methyl 4-[1-[3-(difluoromethoxy)phenyl]ethylsulfamoyl]benzoate
CID 55703531
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 27690770
1-acetyl-N-(4-phenylbutan-2-yl)-2,3-dihydroindole-5-sulfonamide
CID 85457192
1-acetyl-N-[(2S)-4-(dimethylamino)butan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 95637329
1-acetyl-N-butan-2-yl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 60681169

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide (CID 55703530) is 1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NC(C)c3cccc(OC(F)F)c3)ccc21.
What is the InChIKey of 1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is XHZAEHNFQOLIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O4S/c1-12(14-4-3-5-16(10-14)27-19(20)21)22-28(25,26)17-6-7-18-15(11-17)8-9-23(18)13(2)24/h3-7,10-12,19,22H,8-9H2,1-2H3.
What are the key properties of 1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 410.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55703530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).