2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide

C13H8Cl2N2O5S — CID 11211061

IUPAC2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2N2O5S/c14-8-4-5-11(12(15)6-8)13(18)16-23(21,22)10-3-1-2-9(7-10)17(19)20/h1-7H,(H,16,18)
InChIKeySYSKFMGXKQRVAT-UHFFFAOYSA-N
MW375.19 g/mol
LogP3.02
Rot. Bonds4

About 2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide

2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide (PubChem CID 11211061) has the molecular formula C13H8Cl2N2O5S and a molecular weight of 375.19 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide
PubChem CID11211061
Molecular FormulaC13H8Cl2N2O5S
Molecular Weight375.19 g/mol
Exact Mass373.95
IUPAC Name2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H8Cl2N2O5S/c14-8-4-5-11(12(15)6-8)13(18)16-23(21,22)10-3-1-2-9(7-10)17(19)20/h1-7H,(H,16,18)
InChIKeySYSKFMGXKQRVAT-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 2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide (CID 11211061) is 2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide?
The InChIKey is SYSKFMGXKQRVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O5S/c14-8-4-5-11(12(15)6-8)13(18)16-23(21,22)10-3-1-2-9(7-10)17(19)20/h1-7H,(H,16,18).
What are the key properties of 2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide?
2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide 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 2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide is sourced from PubChem (CID 11211061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).