2-bromo-4-ethylsulfonyl-1-propoxybenzene

C11H15BrO3S — CID 118022008

IUPAC2-bromo-4-ethylsulfonyl-1-propoxybenzene
SMILESCCCOc1ccc(S(=O)(=O)CC)cc1Br
InChIInChI=1S/C11H15BrO3S/c1-3-7-15-11-6-5-9(8-10(11)12)16(13,14)4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyRNVXUJXTQJLKIG-UHFFFAOYSA-N
MW307.21 g/mol
LogP3.03
Rot. Bonds5

About 2-bromo-4-ethylsulfonyl-1-propoxybenzene

2-bromo-4-ethylsulfonyl-1-propoxybenzene (PubChem CID 118022008) has the molecular formula C11H15BrO3S and a molecular weight of 307.21 g/mol. Its IUPAC name is 2-bromo-4-ethylsulfonyl-1-propoxybenzene.

Molecular Properties

Compound Name2-bromo-4-ethylsulfonyl-1-propoxybenzene
PubChem CID118022008
Molecular FormulaC11H15BrO3S
Molecular Weight307.21 g/mol
Exact Mass305.99
IUPAC Name2-bromo-4-ethylsulfonyl-1-propoxybenzene
SMILESCCCOc1ccc(S(=O)(=O)CC)cc1Br
InChIInChI=1S/C11H15BrO3S/c1-3-7-15-11-6-5-9(8-10(11)12)16(13,14)4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKeyRNVXUJXTQJLKIG-UHFFFAOYSA-N
XLogP3.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethylsulfonyl-2-propoxyaniline
CID 63670906
3-bromo-4-nonoxybenzenesulfonamide
CID 43342292
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
4-bromo-3-propoxybenzenesulfonyl chloride
CID 50876046
3-(2-bromo-4-sulfamoylphenoxy)propanoic acid
CID 43164341
2-bromo-4-[bromo(cyclopropyl)methyl]-1-propoxybenzene
CID 104662081
methyl 2-bromo-4-ethylsulfonylbenzoate
CID 146240570
2-bromo-4-(bromomethyl)-1-(2-ethylsulfonylethoxy)benzene
CID 63052658
4-bromo-N,N-bis(2-hydroxyethyl)-3-propoxybenzenesulfonamide
CID 50876357
3-bromo-4-[2-(3-methoxypropoxy)ethoxy]benzenesulfonyl chloride
CID 103178240
3-bromo-N-[4-(phenylsulfamoyl)phenyl]-4-propoxybenzamide
CID 17342662
1,2,3-tribromo-4-propoxybenzene
CID 70578874

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-ethylsulfonyl-1-propoxybenzene?
The IUPAC name of 2-bromo-4-ethylsulfonyl-1-propoxybenzene (CID 118022008) is 2-bromo-4-ethylsulfonyl-1-propoxybenzene.
What is the SMILES notation for 2-bromo-4-ethylsulfonyl-1-propoxybenzene?
The canonical SMILES for 2-bromo-4-ethylsulfonyl-1-propoxybenzene is CCCOc1ccc(S(=O)(=O)CC)cc1Br.
What is the InChIKey of 2-bromo-4-ethylsulfonyl-1-propoxybenzene?
The InChIKey is RNVXUJXTQJLKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3S/c1-3-7-15-11-6-5-9(8-10(11)12)16(13,14)4-2/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2-bromo-4-ethylsulfonyl-1-propoxybenzene?
2-bromo-4-ethylsulfonyl-1-propoxybenzene has a molecular weight of 307.21 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethylsulfonyl-1-propoxybenzene is sourced from PubChem (CID 118022008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).