2-nitro-N-pyrimidin-2-ylbenzenesulfonamide

C10H8N4O4S — CID 840010

IUPAC2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C10H8N4O4S/c15-14(16)8-4-1-2-5-9(8)19(17,18)13-10-11-6-3-7-12-10/h1-7H,(H,11,12,13)
InChIKeyWGADSIIOWABKSF-UHFFFAOYSA-N
MW280.26 g/mol
LogP1.19
Rot. Bonds4

About 2-nitro-N-pyrimidin-2-ylbenzenesulfonamide

2-nitro-N-pyrimidin-2-ylbenzenesulfonamide (PubChem CID 840010) has the molecular formula C10H8N4O4S and a molecular weight of 280.26 g/mol. Its IUPAC name is 2-nitro-N-pyrimidin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
PubChem CID840010
Molecular FormulaC10H8N4O4S
Molecular Weight280.26 g/mol
Exact Mass280.03
IUPAC Name2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncccn1
InChIInChI=1S/C10H8N4O4S/c15-14(16)8-4-1-2-5-9(8)19(17,18)13-10-11-6-3-7-12-10/h1-7H,(H,11,12,13)
InChIKeyWGADSIIOWABKSF-UHFFFAOYSA-N
XLogP1.19
TPSA115.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 51.19
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 2-nitro-N-pyrimidin-2-ylbenzenesulfonamide?
The IUPAC name of 2-nitro-N-pyrimidin-2-ylbenzenesulfonamide (CID 840010) is 2-nitro-N-pyrimidin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-nitro-N-pyrimidin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-nitro-N-pyrimidin-2-ylbenzenesulfonamide is O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncccn1.
What is the InChIKey of 2-nitro-N-pyrimidin-2-ylbenzenesulfonamide?
The InChIKey is WGADSIIOWABKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4S/c15-14(16)8-4-1-2-5-9(8)19(17,18)13-10-11-6-3-7-12-10/h1-7H,(H,11,12,13).
What are the key properties of 2-nitro-N-pyrimidin-2-ylbenzenesulfonamide?
2-nitro-N-pyrimidin-2-ylbenzenesulfonamide has a molecular weight of 280.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-pyrimidin-2-ylbenzenesulfonamide is sourced from PubChem (CID 840010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).