3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

C19H20N2O3S — CID 57044028

IUPAC3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCC1=C(C=C2C(=O)Nc3ccc(S(N)(=O)=O)cc32)CC2=C1CCCC2
InChIInChI=1S/C19H20N2O3S/c1-11-13(8-12-4-2-3-5-15(11)12)9-17-16-10-14(25(20,23)24)6-7-18(16)21-19(17)22/h6-7,9-10H,2-5,8H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyMBAYACZSIVXDTM-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.26
Rot. Bonds2

About 3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide

3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (PubChem CID 57044028) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
PubChem CID57044028
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide
SMILESCC1=C(C=C2C(=O)Nc3ccc(S(N)(=O)=O)cc32)CC2=C1CCCC2
InChIInChI=1S/C19H20N2O3S/c1-11-13(8-12-4-2-3-5-15(11)12)9-17-16-10-14(25(20,23)24)6-7-18(16)21-19(17)22/h6-7,9-10H,2-5,8H2,1H3,(H,21,22)(H2,20,23,24)
InChIKeyMBAYACZSIVXDTM-UHFFFAOYSA-N
XLogP3.26
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The IUPAC name of 3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide (CID 57044028) is 3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide.
What is the SMILES notation for 3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The canonical SMILES for 3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is CC1=C(C=C2C(=O)Nc3ccc(S(N)(=O)=O)cc32)CC2=C1CCCC2.
What is the InChIKey of 3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
The InChIKey is MBAYACZSIVXDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-11-13(8-12-4-2-3-5-15(11)12)9-17-16-10-14(25(20,23)24)6-7-18(16)21-19(17)22/h6-7,9-10H,2-5,8H2,1H3,(H,21,22)(H2,20,23,24).
What are the key properties of 3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide?
3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-4,5,6,7-tetrahydro-1H-inden-2-yl)methylidene]-2-oxo-1H-indole-5-sulfonamide is sourced from PubChem (CID 57044028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).