4-nitrobenzenesulfonamide

C6H6N2O4S — CID 22784

IUPAC4-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
InChIKeyQWKKYJLAUWFPDB-UHFFFAOYSA-N
MW202.19 g/mol
LogP0.24
Rot. Bonds2

About 4-nitrobenzenesulfonamide

4-nitrobenzenesulfonamide (PubChem CID 22784) has the molecular formula C6H6N2O4S and a molecular weight of 202.19 g/mol. Its IUPAC name is 4-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-nitrobenzenesulfonamide
PubChem CID22784
Molecular FormulaC6H6N2O4S
Molecular Weight202.19 g/mol
Exact Mass202.00
IUPAC Name4-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
InChIKeyQWKKYJLAUWFPDB-UHFFFAOYSA-N
XLogP0.24
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-nitrobenzenesulfonamide?
The IUPAC name of 4-nitrobenzenesulfonamide (CID 22784) is 4-nitrobenzenesulfonamide.
What is the SMILES notation for 4-nitrobenzenesulfonamide?
The canonical SMILES for 4-nitrobenzenesulfonamide is NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 4-nitrobenzenesulfonamide?
The InChIKey is QWKKYJLAUWFPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12).
What are the key properties of 4-nitrobenzenesulfonamide?
4-nitrobenzenesulfonamide has a molecular weight of 202.19 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrobenzenesulfonamide is sourced from PubChem (CID 22784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).