3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide

C13H8Cl3NO3S — CID 11331282

IUPAC3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8Cl3NO3S/c14-9-1-3-12(4-2-9)21(19,20)17-13(18)8-5-10(15)7-11(16)6-8/h1-7H,(H,17,18)
InChIKeySCATXHKVKBXKJI-UHFFFAOYSA-N
MW364.64 g/mol
LogP3.77
Rot. Bonds3

About 3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide

3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide (PubChem CID 11331282) has the molecular formula C13H8Cl3NO3S and a molecular weight of 364.64 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide
PubChem CID11331282
Molecular FormulaC13H8Cl3NO3S
Molecular Weight364.64 g/mol
Exact Mass362.93
IUPAC Name3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H8Cl3NO3S/c14-9-1-3-12(4-2-9)21(19,20)17-13(18)8-5-10(15)7-11(16)6-8/h1-7H,(H,17,18)
InChIKeySCATXHKVKBXKJI-UHFFFAOYSA-N
XLogP3.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.64
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide?
The IUPAC name of 3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide (CID 11331282) is 3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide?
The canonical SMILES for 3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide?
The InChIKey is SCATXHKVKBXKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl3NO3S/c14-9-1-3-12(4-2-9)21(19,20)17-13(18)8-5-10(15)7-11(16)6-8/h1-7H,(H,17,18).
What are the key properties of 3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide?
3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide has a molecular weight of 364.64 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-chlorophenyl)sulfonylbenzamide is sourced from PubChem (CID 11331282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).