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

C16H18N2O4S2 — CID 2975802

IUPAC2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)cc1
InChIInChI=1S/C16H18N2O4S2/c1-11-3-5-14(6-4-11)24(21,22)18-12(2)9-13-10-15(23(17,19)20)7-8-16(13)18/h3-8,10,12H,9H2,1-2H3,(H2,17,19,20)
InChIKeyDGBOQWCTZYDKCE-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.78
Rot. Bonds3

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

2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 2975802) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
PubChem CID2975802
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)cc1
InChIInChI=1S/C16H18N2O4S2/c1-11-3-5-14(6-4-11)24(21,22)18-12(2)9-13-10-15(23(17,19)20)7-8-16(13)18/h3-8,10,12H,9H2,1-2H3,(H2,17,19,20)
InChIKeyDGBOQWCTZYDKCE-UHFFFAOYSA-N
XLogP1.78
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide (CID 2975802) is 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide is Cc1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is DGBOQWCTZYDKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-11-3-5-14(6-4-11)24(21,22)18-12(2)9-13-10-15(23(17,19)20)7-8-16(13)18/h3-8,10,12H,9H2,1-2H3,(H2,17,19,20).
What are the key properties of 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide?
2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 366.46 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 2975802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).