5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide

C14H13N3O4S — CID 112526457

IUPAC5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide
SMILESCc1cc2c(N)cccc2n1C(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C14H13N3O4S/c1-8-7-9-10(15)3-2-4-11(9)17(8)14(18)12-5-6-13(21-12)22(16,19)20/h2-7H,15H2,1H3,(H2,16,19,20)
InChIKeyVOCVAJSGDIYIBE-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.46
Rot. Bonds2

About 5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide

5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide (PubChem CID 112526457) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is 5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide.

Molecular Properties

Compound Name5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide
PubChem CID112526457
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide
SMILESCc1cc2c(N)cccc2n1C(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C14H13N3O4S/c1-8-7-9-10(15)3-2-4-11(9)17(8)14(18)12-5-6-13(21-12)22(16,19)20/h2-7H,15H2,1H3,(H2,16,19,20)
InChIKeyVOCVAJSGDIYIBE-UHFFFAOYSA-N
XLogP1.46
TPSA121.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.46
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-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide?
The IUPAC name of 5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide (CID 112526457) is 5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide.
What is the SMILES notation for 5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide?
The canonical SMILES for 5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide is Cc1cc2c(N)cccc2n1C(=O)c1ccc(S(N)(=O)=O)o1.
What is the InChIKey of 5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide?
The InChIKey is VOCVAJSGDIYIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-8-7-9-10(15)3-2-4-11(9)17(8)14(18)12-5-6-13(21-12)22(16,19)20/h2-7H,15H2,1H3,(H2,16,19,20).
What are the key properties of 5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide?
5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide has a molecular weight of 319.34 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-2-methylindole-1-carbonyl)furan-2-sulfonamide is sourced from PubChem (CID 112526457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).