1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide

C17H16N2O4S — CID 129218654

IUPAC1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide
SMILESCc1ccc(CN2C(=O)C(=O)c3cc(S(N)(=O)=O)ccc32)cc1C
InChIInChI=1S/C17H16N2O4S/c1-10-3-4-12(7-11(10)2)9-19-15-6-5-13(24(18,22)23)8-14(15)16(20)17(19)21/h3-8H,9H2,1-2H3,(H2,18,22,23)
InChIKeyNVUTWGFUKDIVND-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.68
Rot. Bonds3

About 1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide

1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide (PubChem CID 129218654) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide
PubChem CID129218654
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide
SMILESCc1ccc(CN2C(=O)C(=O)c3cc(S(N)(=O)=O)ccc32)cc1C
InChIInChI=1S/C17H16N2O4S/c1-10-3-4-12(7-11(10)2)9-19-15-6-5-13(24(18,22)23)8-14(15)16(20)17(19)21/h3-8H,9H2,1-2H3,(H2,18,22,23)
InChIKeyNVUTWGFUKDIVND-UHFFFAOYSA-N
XLogP1.68
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide (CID 129218654) is 1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide is Cc1ccc(CN2C(=O)C(=O)c3cc(S(N)(=O)=O)ccc32)cc1C.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
The InChIKey is NVUTWGFUKDIVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-10-3-4-12(7-11(10)2)9-19-15-6-5-13(24(18,22)23)8-14(15)16(20)17(19)21/h3-8H,9H2,1-2H3,(H2,18,22,23).
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide?
1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide has a molecular weight of 344.39 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-2,3-dioxoindole-5-sulfonamide is sourced from PubChem (CID 129218654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).