2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol

C17H17N3O4S — CID 153363548

IUPAC2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol
SMILESCO.NS(=O)(=O)n1ccc(-c2ccc(-c3ccncc3)cc2)c1C=O
InChIInChI=1S/C16H13N3O3S.CH4O/c17-23(21,22)19-10-7-15(16(19)11-20)14-3-1-12(2-4-14)13-5-8-18-9-6-13;1-2/h1-11H,(H2,17,21,22);2H,1H3
InChIKeyJROBTRFVNDIJBJ-UHFFFAOYSA-N
MW359.41 g/mol
LogP1.69
Rot. Bonds4

About 2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol

2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol (PubChem CID 153363548) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is 2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol.

Molecular Properties

Compound Name2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol
PubChem CID153363548
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol
SMILESCO.NS(=O)(=O)n1ccc(-c2ccc(-c3ccncc3)cc2)c1C=O
InChIInChI=1S/C16H13N3O3S.CH4O/c17-23(21,22)19-10-7-15(16(19)11-20)14-3-1-12(2-4-14)13-5-8-18-9-6-13;1-2/h1-11H,(H2,17,21,22);2H,1H3
InChIKeyJROBTRFVNDIJBJ-UHFFFAOYSA-N
XLogP1.69
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol?
The IUPAC name of 2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol (CID 153363548) is 2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol.
What is the SMILES notation for 2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol?
The canonical SMILES for 2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol is CO.NS(=O)(=O)n1ccc(-c2ccc(-c3ccncc3)cc2)c1C=O.
What is the InChIKey of 2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol?
The InChIKey is JROBTRFVNDIJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S.CH4O/c17-23(21,22)19-10-7-15(16(19)11-20)14-3-1-12(2-4-14)13-5-8-18-9-6-13;1-2/h1-11H,(H2,17,21,22);2H,1H3.
What are the key properties of 2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol?
2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol has a molecular weight of 359.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-3-(4-pyridin-4-ylphenyl)pyrrole-1-sulfonamide;methanol is sourced from PubChem (CID 153363548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).