5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide

C15H15N3O4S — CID 112526759

IUPAC5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)n2c(C)cc3cccc(N)c32)o1
InChIInChI=1S/C15H15N3O4S/c1-9-8-10-4-3-5-11(16)14(10)18(9)15(19)12-6-7-13(22-12)23(20,21)17-2/h3-8,17H,16H2,1-2H3
InChIKeyQDICGEULJIDVSJ-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.72
Rot. Bonds3

About 5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide

5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide (PubChem CID 112526759) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is 5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide.

Molecular Properties

Compound Name5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide
PubChem CID112526759
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide
SMILESCNS(=O)(=O)c1ccc(C(=O)n2c(C)cc3cccc(N)c32)o1
InChIInChI=1S/C15H15N3O4S/c1-9-8-10-4-3-5-11(16)14(10)18(9)15(19)12-6-7-13(22-12)23(20,21)17-2/h3-8,17H,16H2,1-2H3
InChIKeyQDICGEULJIDVSJ-UHFFFAOYSA-N
XLogP1.72
TPSA107.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide?
The IUPAC name of 5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide (CID 112526759) is 5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide.
What is the SMILES notation for 5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide?
The canonical SMILES for 5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide is CNS(=O)(=O)c1ccc(C(=O)n2c(C)cc3cccc(N)c32)o1.
What is the InChIKey of 5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide?
The InChIKey is QDICGEULJIDVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-9-8-10-4-3-5-11(16)14(10)18(9)15(19)12-6-7-13(22-12)23(20,21)17-2/h3-8,17H,16H2,1-2H3.
What are the key properties of 5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide?
5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide has a molecular weight of 333.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-amino-2-methylindole-1-carbonyl)-N-methylfuran-2-sulfonamide is sourced from PubChem (CID 112526759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).