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

C15H13Cl2NO3S — CID 11262303

IUPAC4-chloro-N-(4-chlorophenyl)sulfonyl-2-ethylbenzamide
SMILESCCc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO3S/c1-2-10-9-12(17)5-8-14(10)15(19)18-22(20,21)13-6-3-11(16)4-7-13/h3-9H,2H2,1H3,(H,18,19)
InChIKeyGMFXLDJYMOMKKL-UHFFFAOYSA-N
MW358.25 g/mol
LogP3.67
Rot. Bonds4

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

4-chloro-N-(4-chlorophenyl)sulfonyl-2-ethylbenzamide (PubChem CID 11262303) has the molecular formula C15H13Cl2NO3S and a molecular weight of 358.25 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)sulfonyl-2-ethylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)sulfonyl-2-ethylbenzamide
PubChem CID11262303
Molecular FormulaC15H13Cl2NO3S
Molecular Weight358.25 g/mol
Exact Mass357.00
IUPAC Name4-chloro-N-(4-chlorophenyl)sulfonyl-2-ethylbenzamide
SMILESCCc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H13Cl2NO3S/c1-2-10-9-12(17)5-8-14(10)15(19)18-22(20,21)13-6-3-11(16)4-7-13/h3-9H,2H2,1H3,(H,18,19)
InChIKeyGMFXLDJYMOMKKL-UHFFFAOYSA-N
XLogP3.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.25
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)sulfonyl-2-ethylbenzamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)sulfonyl-2-ethylbenzamide (CID 11262303) is 4-chloro-N-(4-chlorophenyl)sulfonyl-2-ethylbenzamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)sulfonyl-2-ethylbenzamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)sulfonyl-2-ethylbenzamide is CCc1cc(Cl)ccc1C(=O)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)sulfonyl-2-ethylbenzamide?
The InChIKey is GMFXLDJYMOMKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3S/c1-2-10-9-12(17)5-8-14(10)15(19)18-22(20,21)13-6-3-11(16)4-7-13/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 4-chloro-N-(4-chlorophenyl)sulfonyl-2-ethylbenzamide?
4-chloro-N-(4-chlorophenyl)sulfonyl-2-ethylbenzamide has a molecular weight of 358.25 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)sulfonyl-2-ethylbenzamide is sourced from PubChem (CID 11262303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).