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

C12H18N2O4S2 — CID 62998922

IUPAC1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)CS(=O)(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C12H18N2O4S2/c1-9(2)8-19(15,16)14-6-5-10-7-11(20(13,17)18)3-4-12(10)14/h3-4,7,9H,5-6,8H2,1-2H3,(H2,13,17,18)
InChIKeyLDDWAIAMXGBMPN-UHFFFAOYSA-N
MW318.42 g/mol
LogP0.68
Rot. Bonds4

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

1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 62998922) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID62998922
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC Name1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(C)CS(=O)(=O)N1CCc2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C12H18N2O4S2/c1-9(2)8-19(15,16)14-6-5-10-7-11(20(13,17)18)3-4-12(10)14/h3-4,7,9H,5-6,8H2,1-2H3,(H2,13,17,18)
InChIKeyLDDWAIAMXGBMPN-UHFFFAOYSA-N
XLogP0.68
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methylbutylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 52882056
1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide
CID 60531722
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-methylbutylsulfonyl)-2,3-dihydroindol-5-amine
CID 55262070
1-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonyl]-2,3-dihydroindole-5-sulfonamide
CID 24622202
1-(2-methyl-5-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 55895275
1-(1,3-dioxoisoindol-5-yl)sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 56561787
1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 146138470
1-[3-(trifluoromethoxy)phenyl]sulfonyl-2,3-dihydroindole-5-sulfonamide
CID 31781525
1-(3-aminopropyl)-2,3-dihydroindole-5-sulfonamide
CID 28917333
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide (CID 62998922) is 1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide is CC(C)CS(=O)(=O)N1CCc2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is LDDWAIAMXGBMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c1-9(2)8-19(15,16)14-6-5-10-7-11(20(13,17)18)3-4-12(10)14/h3-4,7,9H,5-6,8H2,1-2H3,(H2,13,17,18).
What are the key properties of 1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide?
1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 318.42 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropylsulfonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 62998922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).