4-chloro-3-nitrobenzenesulfonamide

C6H5ClN2O4S — CID 7324

IUPAC4-chloro-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C6H5ClN2O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,(H2,8,12,13)
InChIKeySPZGXONNVLTQDE-UHFFFAOYSA-N
MW236.64 g/mol
LogP0.90
Rot. Bonds2

About 4-chloro-3-nitrobenzenesulfonamide

4-chloro-3-nitrobenzenesulfonamide (PubChem CID 7324) has the molecular formula C6H5ClN2O4S and a molecular weight of 236.64 g/mol. Its IUPAC name is 4-chloro-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-3-nitrobenzenesulfonamide
PubChem CID7324
Molecular FormulaC6H5ClN2O4S
Molecular Weight236.64 g/mol
Exact Mass235.97
IUPAC Name4-chloro-3-nitrobenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C6H5ClN2O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,(H2,8,12,13)
InChIKeySPZGXONNVLTQDE-UHFFFAOYSA-N
XLogP0.90
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.64
LogP ≤ 50.90
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-chloro-3-nitrobenzenesulfonamide?
The IUPAC name of 4-chloro-3-nitrobenzenesulfonamide (CID 7324) is 4-chloro-3-nitrobenzenesulfonamide.
What is the SMILES notation for 4-chloro-3-nitrobenzenesulfonamide?
The canonical SMILES for 4-chloro-3-nitrobenzenesulfonamide is NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-3-nitrobenzenesulfonamide?
The InChIKey is SPZGXONNVLTQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,(H2,8,12,13).
What are the key properties of 4-chloro-3-nitrobenzenesulfonamide?
4-chloro-3-nitrobenzenesulfonamide has a molecular weight of 236.64 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-nitrobenzenesulfonamide is sourced from PubChem (CID 7324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).