1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide

C15H14F2N2O4S2 — CID 24556080

IUPAC1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H14F2N2O4S2/c1-9-6-10-7-12(24(18,20)21)3-4-14(10)19(9)25(22,23)15-5-2-11(16)8-13(15)17/h2-5,7-9H,6H2,1H3,(H2,18,20,21)
InChIKeyLKZXDSGJVSPKBT-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.75
Rot. Bonds3

About 1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide

1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 24556080) has the molecular formula C15H14F2N2O4S2 and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID24556080
Molecular FormulaC15H14F2N2O4S2
Molecular Weight388.42 g/mol
Exact Mass388.04
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCC1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C15H14F2N2O4S2/c1-9-6-10-7-12(24(18,20)21)3-4-14(10)19(9)25(22,23)15-5-2-11(16)8-13(15)17/h2-5,7-9H,6H2,1H3,(H2,18,20,21)
InChIKeyLKZXDSGJVSPKBT-UHFFFAOYSA-N
XLogP1.75
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1253684
1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24556091
(2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 39977365
5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 86231559
1-(2-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindol-5-amine
CID 43551065
methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 24563307
5-bromo-1-(4-fluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 133239524
2-methyl-5-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 55460783
ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 24556093
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55681595
1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24563316

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 24556080) is 1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide is CC1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is LKZXDSGJVSPKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O4S2/c1-9-6-10-7-12(24(18,20)21)3-4-14(10)19(9)25(22,23)15-5-2-11(16)8-13(15)17/h2-5,7-9H,6H2,1H3,(H2,18,20,21).
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 388.42 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 24556080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).