N-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide

C15H11N3O4S2 — CID 67299059

IUPACN-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide
SMILESO=[N+]([O-])c1ccc(-c2cc(NS(=O)(=O)c3ccccn3)cs2)cc1
InChIInChI=1S/C15H11N3O4S2/c19-18(20)13-6-4-11(5-7-13)14-9-12(10-23-14)17-24(21,22)15-3-1-2-8-16-15/h1-10,17H
InChIKeyFASHUYINQNZUPC-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.52
Rot. Bonds5

About N-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide

N-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide (PubChem CID 67299059) has the molecular formula C15H11N3O4S2 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide
PubChem CID67299059
Molecular FormulaC15H11N3O4S2
Molecular Weight361.40 g/mol
Exact Mass361.02
IUPAC NameN-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide
SMILESO=[N+]([O-])c1ccc(-c2cc(NS(=O)(=O)c3ccccn3)cs2)cc1
InChIInChI=1S/C15H11N3O4S2/c19-18(20)13-6-4-11(5-7-13)14-9-12(10-23-14)17-24(21,22)15-3-1-2-8-16-15/h1-10,17H
InChIKeyFASHUYINQNZUPC-UHFFFAOYSA-N
XLogP3.52
TPSA102.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.52
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 N-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide?
The IUPAC name of N-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide (CID 67299059) is N-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide?
The canonical SMILES for N-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide is O=[N+]([O-])c1ccc(-c2cc(NS(=O)(=O)c3ccccn3)cs2)cc1.
What is the InChIKey of N-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide?
The InChIKey is FASHUYINQNZUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4S2/c19-18(20)13-6-4-11(5-7-13)14-9-12(10-23-14)17-24(21,22)15-3-1-2-8-16-15/h1-10,17H.
What are the key properties of N-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide?
N-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide has a molecular weight of 361.40 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-nitrophenyl)thiophen-3-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 67299059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).