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

C14H11Cl2NO4S — CID 11164266

IUPAC2,4-dichloro-N-(3-methoxyphenyl)sulfonylbenzamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H11Cl2NO4S/c1-21-10-3-2-4-11(8-10)22(19,20)17-14(18)12-6-5-9(15)7-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyQYUOZIXOUFDURP-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.12
Rot. Bonds4

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

2,4-dichloro-N-(3-methoxyphenyl)sulfonylbenzamide (PubChem CID 11164266) has the molecular formula C14H11Cl2NO4S and a molecular weight of 360.22 g/mol. Its IUPAC name is 2,4-dichloro-N-(3-methoxyphenyl)sulfonylbenzamide.

Molecular Properties

Compound Name2,4-dichloro-N-(3-methoxyphenyl)sulfonylbenzamide
PubChem CID11164266
Molecular FormulaC14H11Cl2NO4S
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC Name2,4-dichloro-N-(3-methoxyphenyl)sulfonylbenzamide
SMILESCOc1cccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C14H11Cl2NO4S/c1-21-10-3-2-4-11(8-10)22(19,20)17-14(18)12-6-5-9(15)7-13(12)16/h2-8H,1H3,(H,17,18)
InChIKeyQYUOZIXOUFDURP-UHFFFAOYSA-N
XLogP3.12
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(3-methoxyphenyl)sulfonylbenzamide?
The IUPAC name of 2,4-dichloro-N-(3-methoxyphenyl)sulfonylbenzamide (CID 11164266) is 2,4-dichloro-N-(3-methoxyphenyl)sulfonylbenzamide.
What is the SMILES notation for 2,4-dichloro-N-(3-methoxyphenyl)sulfonylbenzamide?
The canonical SMILES for 2,4-dichloro-N-(3-methoxyphenyl)sulfonylbenzamide is COc1cccc(S(=O)(=O)NC(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-(3-methoxyphenyl)sulfonylbenzamide?
The InChIKey is QYUOZIXOUFDURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4S/c1-21-10-3-2-4-11(8-10)22(19,20)17-14(18)12-6-5-9(15)7-13(12)16/h2-8H,1H3,(H,17,18).
What are the key properties of 2,4-dichloro-N-(3-methoxyphenyl)sulfonylbenzamide?
2,4-dichloro-N-(3-methoxyphenyl)sulfonylbenzamide has a molecular weight of 360.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-(3-methoxyphenyl)sulfonylbenzamide is sourced from PubChem (CID 11164266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).