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

C14H13N3O3S — CID 21051556

IUPAC(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indole-5-sulfonamide
SMILESC/C(=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21)c1ccc[nH]1
InChIInChI=1S/C14H13N3O3S/c1-8(11-3-2-6-16-11)13-10-7-9(21(15,19)20)4-5-12(10)17-14(13)18/h2-7,16H,1H3,(H,17,18)(H2,15,19,20)/b13-8-
InChIKeyZRFNJMWFTYWQPI-JYRVWZFOSA-N
MW303.34 g/mol
LogP1.54
Rot. Bonds2

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

(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indole-5-sulfonamide (PubChem CID 21051556) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indole-5-sulfonamide.

Molecular Properties

Compound Name(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indole-5-sulfonamide
PubChem CID21051556
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indole-5-sulfonamide
SMILESC/C(=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21)c1ccc[nH]1
InChIInChI=1S/C14H13N3O3S/c1-8(11-3-2-6-16-11)13-10-7-9(21(15,19)20)4-5-12(10)17-14(13)18/h2-7,16H,1H3,(H,17,18)(H2,15,19,20)/b13-8-
InChIKeyZRFNJMWFTYWQPI-JYRVWZFOSA-N
XLogP1.54
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.54
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)ethylidene]-1H-indole-5-sulfonamide?
The IUPAC name of (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indole-5-sulfonamide (CID 21051556) is (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indole-5-sulfonamide.
What is the SMILES notation for (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indole-5-sulfonamide?
The canonical SMILES for (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indole-5-sulfonamide is C/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)ethylidene]-1H-indole-5-sulfonamide?
The InChIKey is ZRFNJMWFTYWQPI-JYRVWZFOSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-8(11-3-2-6-16-11)13-10-7-9(21(15,19)20)4-5-12(10)17-14(13)18/h2-7,16H,1H3,(H,17,18)(H2,15,19,20)/b13-8-.
What are the key properties of (3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indole-5-sulfonamide?
(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-1H-indole-5-sulfonamide has a molecular weight of 303.34 g/mol, XLogP of 1.54, 2 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)ethylidene]-1H-indole-5-sulfonamide is sourced from PubChem (CID 21051556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).