5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide

C15H15N3O6S — CID 2548574

IUPAC5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H15N3O6S/c19-15(13-7-8-14(24-13)18(20)21)16-11-3-5-12(6-4-11)25(22,23)17-9-1-2-10-17/h3-8H,1-2,9-10H2,(H,16,19)
InChIKeyLBKFUWVENUNQRN-UHFFFAOYSA-N
MW365.37 g/mol
LogP2.22
Rot. Bonds5

About 5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide

5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide (PubChem CID 2548574) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is 5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide
PubChem CID2548574
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC Name5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C15H15N3O6S/c19-15(13-7-8-14(24-13)18(20)21)16-11-3-5-12(6-4-11)25(22,23)17-9-1-2-10-17/h3-8H,1-2,9-10H2,(H,16,19)
InChIKeyLBKFUWVENUNQRN-UHFFFAOYSA-N
XLogP2.22
TPSA122.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The IUPAC name of 5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide (CID 2548574) is 5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide?
The InChIKey is LBKFUWVENUNQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c19-15(13-7-8-14(24-13)18(20)21)16-11-3-5-12(6-4-11)25(22,23)17-9-1-2-10-17/h3-8H,1-2,9-10H2,(H,16,19).
What are the key properties of 5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide?
5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(4-pyrrolidin-1-ylsulfonylphenyl)furan-2-carboxamide is sourced from PubChem (CID 2548574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).