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

C16H18N2O6S3 — CID 55895275

IUPAC1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C16H18N2O6S3/c1-11-3-4-13(25(2,19)20)10-16(11)27(23,24)18-8-7-12-9-14(26(17,21)22)5-6-15(12)18/h3-6,9-10H,7-8H2,1-2H3,(H2,17,21,22)
InChIKeyXTTXRWYVFDXFJX-UHFFFAOYSA-N
MW430.53 g/mol
LogP0.80
Rot. Bonds4

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

1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 55895275) has the molecular formula C16H18N2O6S3 and a molecular weight of 430.53 g/mol. Its IUPAC name is 1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
PubChem CID55895275
Molecular FormulaC16H18N2O6S3
Molecular Weight430.53 g/mol
Exact Mass430.03
IUPAC Name1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C16H18N2O6S3/c1-11-3-4-13(25(2,19)20)10-16(11)27(23,24)18-8-7-12-9-14(26(17,21)22)5-6-15(12)18/h3-6,9-10H,7-8H2,1-2H3,(H2,17,21,22)
InChIKeyXTTXRWYVFDXFJX-UHFFFAOYSA-N
XLogP0.80
TPSA131.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-5-methylsulfonylbenzenesulfonamide
CID 597880
dimethyl 2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzene-1,4-dicarboxylate
CID 24563282
1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 62998922
1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide
CID 24622202
1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 56561787
1-methyl-5-methylsulfonyl-2,3-dihydroindole
CID 90176022
methyl 1-(2-chloro-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-carboxylate
CID 55589959
1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 52882056
3-[4-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]propanoic acid
CID 24563287
1-formyl-2,3-dihydroindole-5-sulfonamide
CID 89385398
1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 31781525
methyl 1-(2,5-dimethylphenyl)sulfonyl-2,3-dihydroindole-5-carboxylate
CID 31756213

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide (CID 55895275) is 1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide is Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is XTTXRWYVFDXFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O6S3/c1-11-3-4-13(25(2,19)20)10-16(11)27(23,24)18-8-7-12-9-14(26(17,21)22)5-6-15(12)18/h3-6,9-10H,7-8H2,1-2H3,(H2,17,21,22).
What are the key properties of 1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 430.53 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55895275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).