(3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide

C18H17N3O5S — CID 5331085

IUPAC(3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2
InChIInChI=1S/C18H17N3O5S/c1-21(2)27(24,25)10-3-4-15-12(7-10)13(17(22)20-15)8-16-11-5-6-26-18(23)14(11)9-19-16/h3-4,7-9,19H,5-6H2,1-2H3,(H,20,22)/b13-8-
InChIKeyHYFAEVUXFBZHKP-JYRVWZFOSA-N
MW387.42 g/mol
LogP1.47
Rot. Bonds3

About (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide

(3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide (PubChem CID 5331085) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide
PubChem CID5331085
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name(3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2
InChIInChI=1S/C18H17N3O5S/c1-21(2)27(24,25)10-3-4-15-12(7-10)13(17(22)20-15)8-16-11-5-6-26-18(23)14(11)9-19-16/h3-4,7-9,19H,5-6H2,1-2H3,(H,20,22)/b13-8-
InChIKeyHYFAEVUXFBZHKP-JYRVWZFOSA-N
XLogP1.47
TPSA108.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide (CID 5331085) is (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2.
What is the InChIKey of (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide?
The InChIKey is HYFAEVUXFBZHKP-JYRVWZFOSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-21(2)27(24,25)10-3-4-15-12(7-10)13(17(22)20-15)8-16-11-5-6-26-18(23)14(11)9-19-16/h3-4,7-9,19H,5-6H2,1-2H3,(H,20,22)/b13-8-.
What are the key properties of (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide?
(3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide has a molecular weight of 387.42 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,N-dimethyl-2-oxo-3-[(4-oxo-6,7-dihydro-2H-pyrano[3,4-c]pyrrol-1-yl)methylidene]-1H-indole-5-sulfonamide is sourced from PubChem (CID 5331085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).