2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide

C17H13N3O4S — CID 67283476

IUPAC2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccccc2)c1-c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C17H13N3O4S/c18-25(23,24)15-10-4-8-13(12-6-2-1-3-7-12)16(15)17-14(20(21)22)9-5-11-19-17/h1-11H,(H2,18,23,24)
InChIKeyAHRLYCDQWPEHJF-UHFFFAOYSA-N
MW355.38 g/mol
LogP2.97
Rot. Bonds4

About 2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide

2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide (PubChem CID 67283476) has the molecular formula C17H13N3O4S and a molecular weight of 355.38 g/mol. Its IUPAC name is 2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide.

Molecular Properties

Compound Name2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide
PubChem CID67283476
Molecular FormulaC17H13N3O4S
Molecular Weight355.38 g/mol
Exact Mass355.06
IUPAC Name2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccccc2)c1-c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C17H13N3O4S/c18-25(23,24)15-10-4-8-13(12-6-2-1-3-7-12)16(15)17-14(20(21)22)9-5-11-19-17/h1-11H,(H2,18,23,24)
InChIKeyAHRLYCDQWPEHJF-UHFFFAOYSA-N
XLogP2.97
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide?
The IUPAC name of 2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide (CID 67283476) is 2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide.
What is the SMILES notation for 2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide?
The canonical SMILES for 2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccccc2)c1-c1ncccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide?
The InChIKey is AHRLYCDQWPEHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S/c18-25(23,24)15-10-4-8-13(12-6-2-1-3-7-12)16(15)17-14(20(21)22)9-5-11-19-17/h1-11H,(H2,18,23,24).
What are the key properties of 2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide?
2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide has a molecular weight of 355.38 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitro-2-pyridinyl)-3-phenylbenzenesulfonamide is sourced from PubChem (CID 67283476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).