N-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide

C17H17BrClNO5S2 — CID 2765518

IUPACN-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide
SMILESCC(C(=O)NCCS(=O)(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17BrClNO5S2/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)
InChIKeyICNMWJMQLLDEGW-UHFFFAOYSA-N
MW494.82 g/mol
LogP2.85
Rot. Bonds7

About N-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide

N-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide (PubChem CID 2765518) has the molecular formula C17H17BrClNO5S2 and a molecular weight of 494.82 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide
PubChem CID2765518
Molecular FormulaC17H17BrClNO5S2
Molecular Weight494.82 g/mol
Exact Mass492.94
IUPAC NameN-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide
SMILESCC(C(=O)NCCS(=O)(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17BrClNO5S2/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)
InChIKeyICNMWJMQLLDEGW-UHFFFAOYSA-N
XLogP2.85
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.82
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide?
The IUPAC name of N-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide (CID 2765518) is N-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide is CC(C(=O)NCCS(=O)(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide?
The InChIKey is ICNMWJMQLLDEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO5S2/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 N-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide?
N-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide has a molecular weight of 494.82 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)sulfonylethyl]-2-(4-chlorophenyl)sulfonylpropanamide is sourced from PubChem (CID 2765518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).