3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide

C17H17BrClNO3S — CID 3456811

IUPAC3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H17BrClNO3S/c18-14-3-7-16(8-4-14)24(22,23)12-10-17(21)20-11-9-13-1-5-15(19)6-2-13/h1-8H,9-12H2,(H,20,21)
InChIKeyPNSIAEWDFPLOKC-UHFFFAOYSA-N
MW430.75 g/mol
LogP3.63
Rot. Bonds7

About 3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide

3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide (PubChem CID 3456811) has the molecular formula C17H17BrClNO3S and a molecular weight of 430.75 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide
PubChem CID3456811
Molecular FormulaC17H17BrClNO3S
Molecular Weight430.75 g/mol
Exact Mass428.98
IUPAC Name3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H17BrClNO3S/c18-14-3-7-16(8-4-14)24(22,23)12-10-17(21)20-11-9-13-1-5-15(19)6-2-13/h1-8H,9-12H2,(H,20,21)
InChIKeyPNSIAEWDFPLOKC-UHFFFAOYSA-N
XLogP3.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.75
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide (CID 3456811) is 3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)NCCc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide?
The InChIKey is PNSIAEWDFPLOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO3S/c18-14-3-7-16(8-4-14)24(22,23)12-10-17(21)20-11-9-13-1-5-15(19)6-2-13/h1-8H,9-12H2,(H,20,21).
What are the key properties of 3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide?
3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide has a molecular weight of 430.75 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfonyl-N-[2-(4-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 3456811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).