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

C17H18ClNO5S2 — CID 2765489

IUPAC2-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide
SMILESCC(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18ClNO5S2/c1-13(26(23,24)16-5-3-2-4-6-16)17(20)19-11-12-25(21,22)15-9-7-14(18)8-10-15/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeyPCCABXLFRHGOQA-UHFFFAOYSA-N
MW415.92 g/mol
LogP2.09
Rot. Bonds7

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

2-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide (PubChem CID 2765489) has the molecular formula C17H18ClNO5S2 and a molecular weight of 415.92 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide
PubChem CID2765489
Molecular FormulaC17H18ClNO5S2
Molecular Weight415.92 g/mol
Exact Mass415.03
IUPAC Name2-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide
SMILESCC(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18ClNO5S2/c1-13(26(23,24)16-5-3-2-4-6-16)17(20)19-11-12-25(21,22)15-9-7-14(18)8-10-15/h2-10,13H,11-12H2,1H3,(H,19,20)
InChIKeyPCCABXLFRHGOQA-UHFFFAOYSA-N
XLogP2.09
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide?
The IUPAC name of 2-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide (CID 2765489) is 2-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide.
What is the SMILES notation for 2-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide?
The canonical SMILES for 2-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide is CC(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide?
The InChIKey is PCCABXLFRHGOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO5S2/c1-13(26(23,24)16-5-3-2-4-6-16)17(20)19-11-12-25(21,22)15-9-7-14(18)8-10-15/h2-10,13H,11-12H2,1H3,(H,19,20).
What are the key properties of 2-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide?
2-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide has a molecular weight of 415.92 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide is sourced from PubChem (CID 2765489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).