1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane

C12H13BrO3S — CID 165437914

IUPAC1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane
SMILESCOc1ccc(Br)cc1S(=O)(=O)C12CC(C1)C2
InChIInChI=1S/C12H13BrO3S/c1-16-10-3-2-9(13)4-11(10)17(14,15)12-5-8(6-12)7-12/h2-4,8H,5-7H2,1H3
InChIKeyLWWYMZALOVJOTO-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.78
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane

1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane (PubChem CID 165437914) has the molecular formula C12H13BrO3S and a molecular weight of 317.20 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane
PubChem CID165437914
Molecular FormulaC12H13BrO3S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane
SMILESCOc1ccc(Br)cc1S(=O)(=O)C12CC(C1)C2
InChIInChI=1S/C12H13BrO3S/c1-16-10-3-2-9(13)4-11(10)17(14,15)12-5-8(6-12)7-12/h2-4,8H,5-7H2,1H3
InChIKeyLWWYMZALOVJOTO-UHFFFAOYSA-N
XLogP2.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,3-dihydro-1H-inden-2-yl)-2-methoxybenzenesulfonamide
CID 3314811
5-bromo-N-(2-hydroxycyclohexyl)-2-methoxy-N-methylbenzenesulfonamide
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(5-bromo-2-methoxyphenyl)-imino-oxo-propan-2-yl-λ6-sulfane
CID 131493144
5-bromo-2-methoxy-N-(3-methylcyclobutyl)benzenesulfonamide
CID 113248092
1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922390
5-bromo-2-methoxy-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 78947897
5-bromo-2-methoxy-N-(thian-4-ylmethyl)benzenesulfonamide
CID 115625397
5-bromo-2-methoxy-N-(3-methoxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 103743726
5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
CID 8817191
5-bromo-2-methoxy-N-(2-oxothiolan-3-yl)benzenesulfonamide
CID 25040467
N-[(1-aminocycloheptyl)methyl]-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
CID 119998568
N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane (CID 165437914) is 1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane is COc1ccc(Br)cc1S(=O)(=O)C12CC(C1)C2.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane?
The InChIKey is LWWYMZALOVJOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO3S/c1-16-10-3-2-9(13)4-11(10)17(14,15)12-5-8(6-12)7-12/h2-4,8H,5-7H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane?
1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane has a molecular weight of 317.20 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)sulfonylbicyclo[1.1.1]pentane is sourced from PubChem (CID 165437914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).