2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide

C14H11Cl2NO3S — CID 11244838

IUPAC2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO3S/c1-9-2-5-11(6-3-9)21(19,20)17-14(18)12-7-4-10(15)8-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyHUJQPYATBOSOGN-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.42
Rot. Bonds3

About 2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide

2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide (PubChem CID 11244838) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is 2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide
PubChem CID11244838
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO3S/c1-9-2-5-11(6-3-9)21(19,20)17-14(18)12-7-4-10(15)8-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyHUJQPYATBOSOGN-UHFFFAOYSA-N
XLogP3.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide (CID 11244838) is 2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide?
The InChIKey is HUJQPYATBOSOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c1-9-2-5-11(6-3-9)21(19,20)17-14(18)12-7-4-10(15)8-13(12)16/h2-8H,1H3,(H,17,18).
What are the key properties of 2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide?
2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide has a molecular weight of 344.22 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(4-methylphenyl)sulfonylbenzamide is sourced from PubChem (CID 11244838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).