2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide

C13H8Cl2N2O5S — CID 11239299

IUPAC2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H8Cl2N2O5S/c14-8-1-4-10(5-2-8)23(21,22)16-13(18)11-6-3-9(17(19)20)7-12(11)15/h1-7H,(H,16,18)
InChIKeyZBVKQIOFSQFJCD-UHFFFAOYSA-N
MW375.19 g/mol
LogP3.02
Rot. Bonds4

About 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide

2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide (PubChem CID 11239299) has the molecular formula C13H8Cl2N2O5S and a molecular weight of 375.19 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide
PubChem CID11239299
Molecular FormulaC13H8Cl2N2O5S
Molecular Weight375.19 g/mol
Exact Mass373.95
IUPAC Name2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H8Cl2N2O5S/c14-8-1-4-10(5-2-8)23(21,22)16-13(18)11-6-3-9(17(19)20)7-12(11)15/h1-7H,(H,16,18)
InChIKeyZBVKQIOFSQFJCD-UHFFFAOYSA-N
XLogP3.02
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.19
LogP ≤ 53.02
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-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide (CID 11239299) is 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide?
The InChIKey is ZBVKQIOFSQFJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O5S/c14-8-1-4-10(5-2-8)23(21,22)16-13(18)11-6-3-9(17(19)20)7-12(11)15/h1-7H,(H,16,18).
What are the key properties of 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide?
2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide has a molecular weight of 375.19 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide is sourced from PubChem (CID 11239299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).