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

C17H20N2O4S2 — CID 24556091

IUPAC1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)c1
InChIInChI=1S/C17H20N2O4S2/c1-11-4-5-12(2)17(8-11)25(22,23)19-13(3)9-14-10-15(24(18,20)21)6-7-16(14)19/h4-8,10,13H,9H2,1-3H3,(H2,18,20,21)
InChIKeyUADFOQJLXHATHC-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.09
Rot. Bonds3

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

1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 24556091) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID24556091
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)c1
InChIInChI=1S/C17H20N2O4S2/c1-11-4-5-12(2)17(8-11)25(22,23)19-13(3)9-14-10-15(24(18,20)21)6-7-16(14)19/h4-8,10,13H,9H2,1-3H3,(H2,18,20,21)
InChIKeyUADFOQJLXHATHC-UHFFFAOYSA-N
XLogP2.09
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1253684
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24556080
2-methyl-5-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 55460783
(2S)-2-methyl-1-(2-phenylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 39977365
ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 24556093
methyl 5-bromo-2-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 24563307
5-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
CID 86231559
1-(3-chloro-4-methyl-5-nitrophenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 24563316
(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937
1-[(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55681595
(2S)-2-methyl-1-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 40809955
(2S)-N-benzyl-2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 1269756

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 24556091) is 1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide is Cc1ccc(C)c(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is UADFOQJLXHATHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-11-4-5-12(2)17(8-11)25(22,23)19-13(3)9-14-10-15(24(18,20)21)6-7-16(14)19/h4-8,10,13H,9H2,1-3H3,(H2,18,20,21).
What are the key properties of 1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide?
1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 380.49 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 24556091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).