1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide

C13H20N2O4S2 — CID 52882056

IUPAC1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)CCS(=O)(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C13H20N2O4S2/c1-10(2)6-8-20(16,17)15-7-5-11-9-12(21(14,18)19)3-4-13(11)15/h3-4,9-10H,5-8H2,1-2H3,(H2,14,18,19)
InChIKeyOBOGWRIJGPXAAY-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.07
Rot. Bonds5

About 1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide

1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 52882056) has the molecular formula C13H20N2O4S2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID52882056
Molecular FormulaC13H20N2O4S2
Molecular Weight332.45 g/mol
Exact Mass332.09
IUPAC Name1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)CCS(=O)(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C13H20N2O4S2/c1-10(2)6-8-20(16,17)15-7-5-11-9-12(21(14,18)19)3-4-13(11)15/h3-4,9-10H,5-8H2,1-2H3,(H2,14,18,19)
InChIKeyOBOGWRIJGPXAAY-UHFFFAOYSA-N
XLogP1.07
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 62998922
1-(3-methylbutylsulfonyl)-2,3-dihydroindol-5-amine
CID 55262070
1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 60531722
1-formyl-2,3-dihydroindole-5-sulfonamide
CID 89385398
1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 146138470
1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 55895275
5-iodo-1-propylsulfonyl-2,3-dihydroindole
CID 129452194
1-hex-5-enylsulfonyl-2,3-dihydroindole-6-sulfonamide
CID 138049346
3-[4-[(5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]propanoic acid
CID 24563287
1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661285
1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide
CID 28917333
1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide
CID 24622202

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide (CID 52882056) is 1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide is CC(C)CCS(=O)(=O)N1CCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is OBOGWRIJGPXAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S2/c1-10(2)6-8-20(16,17)15-7-5-11-9-12(21(14,18)19)3-4-13(11)15/h3-4,9-10H,5-8H2,1-2H3,(H2,14,18,19).
What are the key properties of 1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide?
1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 332.45 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 52882056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).