2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide

C17H17Cl2NO5S2 — CID 2765498

IUPAC2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide
SMILESCC(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NO5S2/c1-12(27(24,25)16-8-4-14(19)5-9-16)17(21)20-10-11-26(22,23)15-6-2-13(18)3-7-15/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyWVKBNXDSYLMBKS-UHFFFAOYSA-N
MW450.37 g/mol
LogP2.75
Rot. Bonds7

About 2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide

2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide (PubChem CID 2765498) has the molecular formula C17H17Cl2NO5S2 and a molecular weight of 450.37 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide
PubChem CID2765498
Molecular FormulaC17H17Cl2NO5S2
Molecular Weight450.37 g/mol
Exact Mass448.99
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide
SMILESCC(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2NO5S2/c1-12(27(24,25)16-8-4-14(19)5-9-16)17(21)20-10-11-26(22,23)15-6-2-13(18)3-7-15/h2-9,12H,10-11H2,1H3,(H,20,21)
InChIKeyWVKBNXDSYLMBKS-UHFFFAOYSA-N
XLogP2.75
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide (CID 2765498) is 2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide is CC(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide?
The InChIKey is WVKBNXDSYLMBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO5S2/c1-12(27(24,25)16-8-4-14(19)5-9-16)17(21)20-10-11-26(22,23)15-6-2-13(18)3-7-15/h2-9,12H,10-11H2,1H3,(H,20,21).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide?
2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide has a molecular weight of 450.37 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide is sourced from PubChem (CID 2765498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).