5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride

C11H11BrCl2O3S — CID 65457787

IUPAC5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCC1CCC1
InChIInChI=1S/C11H11BrCl2O3S/c12-8-4-9(13)11(10(5-8)18(14,15)16)17-6-7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyMHVBRRQLSKQQRI-UHFFFAOYSA-N
MW374.08 g/mol
LogP4.21
Rot. Bonds4

About 5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride

5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride (PubChem CID 65457787) has the molecular formula C11H11BrCl2O3S and a molecular weight of 374.08 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride
PubChem CID65457787
Molecular FormulaC11H11BrCl2O3S
Molecular Weight374.08 g/mol
Exact Mass371.90
IUPAC Name5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCC1CCC1
InChIInChI=1S/C11H11BrCl2O3S/c12-8-4-9(13)11(10(5-8)18(14,15)16)17-6-7-2-1-3-7/h4-5,7H,1-3,6H2
InChIKeyMHVBRRQLSKQQRI-UHFFFAOYSA-N
XLogP4.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.08
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-chloro-2-(oxan-4-ylmethoxy)benzenesulfonyl chloride
CID 62386935
5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride
CID 81106546
2,5-dichloro-4-(cyclobutylmethoxy)benzenesulfonyl chloride
CID 65458261
5-bromo-3-chloro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonyl chloride
CID 115942381
5-bromo-2-but-3-enoxy-3-chlorobenzenesulfonyl chloride
CID 82910287
5-bromo-2-(2-butoxyethoxy)-3-chlorobenzenesulfonyl chloride
CID 61483068
5-bromo-3-methyl-2-(oxolan-2-ylmethoxy)benzenesulfonyl chloride
CID 63217137
5-bromo-3-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonyl chloride
CID 82910206
2-cyclobutylethyl 5-bromo-2-chloro-3-chlorosulfonylbenzoate
CID 106206994
3-chloro-2-(cyclobutylmethoxy)-5-methylphenol
CID 84690826
1-(bromomethyl)-3,5-dichloro-2-(cyclobutylmethoxy)benzene
CID 65458771
5-bromo-2-ethoxy-3-methylbenzenesulfonyl chloride
CID 63216576

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride (CID 65457787) is 5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Br)cc(Cl)c1OCC1CCC1.
What is the InChIKey of 5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride?
The InChIKey is MHVBRRQLSKQQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrCl2O3S/c12-8-4-9(13)11(10(5-8)18(14,15)16)17-6-7-2-1-3-7/h4-5,7H,1-3,6H2.
What are the key properties of 5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride?
5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride has a molecular weight of 374.08 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(cyclobutylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 65457787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).