2-[(4-bromophenyl)sulfonylmethyl]oxolane

C11H13BrO3S — CID 15474559

IUPAC2-[(4-bromophenyl)sulfonylmethyl]oxolane
SMILESO=S(=O)(CC1CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO3S/c12-9-3-5-11(6-4-9)16(13,14)8-10-2-1-7-15-10/h3-6,10H,1-2,7-8H2
InChIKeyPGQGWSSLGHVGIG-UHFFFAOYSA-N
MW305.19 g/mol
LogP2.40
Rot. Bonds3

About 2-[(4-bromophenyl)sulfonylmethyl]oxolane

2-[(4-bromophenyl)sulfonylmethyl]oxolane (PubChem CID 15474559) has the molecular formula C11H13BrO3S and a molecular weight of 305.19 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonylmethyl]oxolane.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonylmethyl]oxolane
PubChem CID15474559
Molecular FormulaC11H13BrO3S
Molecular Weight305.19 g/mol
Exact Mass303.98
IUPAC Name2-[(4-bromophenyl)sulfonylmethyl]oxolane
SMILESO=S(=O)(CC1CCCO1)c1ccc(Br)cc1
InChIInChI=1S/C11H13BrO3S/c12-9-3-5-11(6-4-9)16(13,14)8-10-2-1-7-15-10/h3-6,10H,1-2,7-8H2
InChIKeyPGQGWSSLGHVGIG-UHFFFAOYSA-N
XLogP2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.19
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetic acid
CID 43440399
2-[(3-bromo-4-methylphenyl)sulfonylmethyl]oxane
CID 145425719
(2R)-2-(naphthalen-2-ylsulfonylmethyl)oxolane
CID 94149671
oxolan-2-ylmethyl (2S)-2-(4-bromophenyl)sulfonyloxypropanoate
CID 88611403
2-[4-(oxan-2-ylmethylsulfonyl)phenyl]acetic acid
CID 43592044
2-[(3,4-dimethylphenyl)sulfonylmethyl]oxane
CID 71979163
2,2-difluoro-N-[4-(oxolan-2-ylmethylsulfonyl)phenyl]acetamide
CID 146090869
(2S)-2-methyl-N-[4-[[(2R)-oxolan-2-yl]methylsulfonyl]phenyl]butanamide
CID 95175449
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone
CID 78875837
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 2917382
3-[[4-(oxolan-2-ylmethylsulfonyl)phenyl]carbamoylamino]propanoic acid
CID 122079855
1-(4-bromophenyl)-N-[[(2S)-oxolan-2-yl]methyl]methanesulfonamide
CID 27210861

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonylmethyl]oxolane?
The IUPAC name of 2-[(4-bromophenyl)sulfonylmethyl]oxolane (CID 15474559) is 2-[(4-bromophenyl)sulfonylmethyl]oxolane.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonylmethyl]oxolane?
The canonical SMILES for 2-[(4-bromophenyl)sulfonylmethyl]oxolane is O=S(=O)(CC1CCCO1)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonylmethyl]oxolane?
The InChIKey is PGQGWSSLGHVGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3S/c12-9-3-5-11(6-4-9)16(13,14)8-10-2-1-7-15-10/h3-6,10H,1-2,7-8H2.
What are the key properties of 2-[(4-bromophenyl)sulfonylmethyl]oxolane?
2-[(4-bromophenyl)sulfonylmethyl]oxolane has a molecular weight of 305.19 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonylmethyl]oxolane is sourced from PubChem (CID 15474559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).