2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide

C19H19F3N2O4S — CID 46252888

IUPAC2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2CC1C
InChIInChI=1S/C19H19F3N2O4S/c1-3-18(25)24-12(2)10-13-11-16(8-9-17(13)24)29(26,27)23-14-4-6-15(7-5-14)28-19(20,21)22/h4-9,11-12,23H,3,10H2,1-2H3
InChIKeyDZUXENBPIRERFS-UHFFFAOYSA-N
MW428.43 g/mol
LogP4.07
Rot. Bonds5

About 2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide

2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 46252888) has the molecular formula C19H19F3N2O4S and a molecular weight of 428.43 g/mol. Its IUPAC name is 2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID46252888
Molecular FormulaC19H19F3N2O4S
Molecular Weight428.43 g/mol
Exact Mass428.10
IUPAC Name2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2CC1C
InChIInChI=1S/C19H19F3N2O4S/c1-3-18(25)24-12(2)10-13-11-16(8-9-17(13)24)29(26,27)23-14-4-6-15(7-5-14)28-19(20,21)22/h4-9,11-12,23H,3,10H2,1-2H3
InChIKeyDZUXENBPIRERFS-UHFFFAOYSA-N
XLogP4.07
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
ethyl 4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]benzoate
CID 40653874
2-methyl-N-[(4-methylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15993618
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
2-methyl-N-(2-morpholin-4-ylethyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 15992072
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
dimethyl 5-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]benzene-1,3-dicarboxylate
CID 131842012
N-(4-ethylphenyl)-3-[(2-methyl-1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]propanamide
CID 20853326
(2S)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637750
(2R)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637751
(2S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 92660738
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide (CID 46252888) is 2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide is CCC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2CC1C.
What is the InChIKey of 2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is DZUXENBPIRERFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4S/c1-3-18(25)24-12(2)10-13-11-16(8-9-17(13)24)29(26,27)23-14-4-6-15(7-5-14)28-19(20,21)22/h4-9,11-12,23H,3,10H2,1-2H3.
What are the key properties of 2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide?
2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 428.43 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propanoyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 46252888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).