4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one

C33H36Br2ClN5O7S2 — CID 159182329

About 4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one

4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 159182329) has the molecular formula C33H36Br2ClN5O7S2 and a molecular weight of 874.07 g/mol. Its IUPAC name is 4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 159182329
• Molecular Formula: C33H36Br2ClN5O7S2
• Molecular Weight: 874.07 g/mol
• Exact Mass: 871.01
• IUPAC Name: 4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
• SMILES: CCc1cc(Br)ccc1S(=O)(=O)Cl.CCc1cc(Br)ccc1S(=O)(=O)N1CCN(CC2CN(c3ccc(-c4noc(C)n4)cc3)C(=O)O2)CC1
• InChI: InChI=1S/C25H28BrN5O5S.C8H8BrClO2S/c1-3-18-14-20(26)6-9-23(18)37(33,34)30-12-10-29(11-13-30)15-22-16-31(25(32)35-22)21-7-4-19(5-8-21)24-27-17(2)36-28-24;1-2-6-5-7(9)3-4-8(6)13(10,11)12/h4-9,14,22H,3,10-13,15-16H2,1-2H3;3-5H,2H2,1H3
• InChIKey: KNBFDKGBTSLMEQ-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 143.22 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	874.07
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of 4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one (CID 159182329) is 4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one is CCc1cc(Br)ccc1S(=O)(=O)Cl.CCc1cc(Br)ccc1S(=O)(=O)N1CCN(CC2CN(c3ccc(-c4noc(C)n4)cc3)C(=O)O2)CC1.

What is the InChIKey of 4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one?

The InChIKey is KNBFDKGBTSLMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BrN5O5S.C8H8BrClO2S/c1-3-18-14-20(26)6-9-23(18)37(33,34)30-12-10-29(11-13-30)15-22-16-31(25(32)35-22)21-7-4-19(5-8-21)24-27-17(2)36-28-24;1-2-6-5-7(9)3-4-8(6)13(10,11)12/h4-9,14,22H,3,10-13,15-16H2,1-2H3;3-5H,2H2,1H3.

What are the key properties of 4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one?

4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 874.07 g/mol, XLogP of 6.64, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-ethylbenzenesulfonyl chloride;5-[[4-(4-bromo-2-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 159182329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).