(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide

C15H15N3O3S — CID 11461275

IUPAC(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide
SMILESCC/C(=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21)c1ccc[nH]1
InChIInChI=1S/C15H15N3O3S/c1-2-10(12-4-3-7-17-12)14-11-8-9(22(16,20)21)5-6-13(11)18-15(14)19/h3-8,17H,2H2,1H3,(H,18,19)(H2,16,20,21)/b14-10-
InChIKeyUHSRDKFRLMBVOM-UVTDQMKNSA-N
MW317.37 g/mol
LogP1.93
Rot. Bonds3

About (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide

(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide (PubChem CID 11461275) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide
PubChem CID11461275
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC Name(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide
SMILESCC/C(=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21)c1ccc[nH]1
InChIInChI=1S/C15H15N3O3S/c1-2-10(12-4-3-7-17-12)14-11-8-9(22(16,20)21)5-6-13(11)18-15(14)19/h3-8,17H,2H2,1H3,(H,18,19)(H2,16,20,21)/b14-10-
InChIKeyUHSRDKFRLMBVOM-UVTDQMKNSA-N
XLogP1.93
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.93
H-Bond Donors ≤ 53
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 (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide (CID 11461275) is (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide is CC/C(=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21)c1ccc[nH]1.
What is the InChIKey of (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide?
The InChIKey is UHSRDKFRLMBVOM-UVTDQMKNSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-2-10(12-4-3-7-17-12)14-11-8-9(22(16,20)21)5-6-13(11)18-15(14)19/h3-8,17H,2H2,1H3,(H,18,19)(H2,16,20,21)/b14-10-.
What are the key properties of (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide?
(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide has a molecular weight of 317.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)propylidene]-1H-indole-5-sulfonamide is sourced from PubChem (CID 11461275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).