4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride

C11H15ClO3S — CID 124528662

IUPAC4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride
SMILESCCC[C@@H](OC)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO3S/c1-3-4-11(15-2)9-5-7-10(8-6-9)16(12,13)14/h5-8,11H,3-4H2,1-2H3/t11-/m1/s1
InChIKeyGVGWMIPEYFMQJS-LLVKDONJSA-N
MW262.76 g/mol
LogP3.10
Rot. Bonds5

About 4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride

4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride (PubChem CID 124528662) has the molecular formula C11H15ClO3S and a molecular weight of 262.76 g/mol. Its IUPAC name is 4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride
PubChem CID124528662
Molecular FormulaC11H15ClO3S
Molecular Weight262.76 g/mol
Exact Mass262.04
IUPAC Name4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride
SMILESCCC[C@@H](OC)c1ccc(S(=O)(=O)Cl)cc1
InChIInChI=1S/C11H15ClO3S/c1-3-4-11(15-2)9-5-7-10(8-6-9)16(12,13)14/h5-8,11H,3-4H2,1-2H3/t11-/m1/s1
InChIKeyGVGWMIPEYFMQJS-LLVKDONJSA-N
XLogP3.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-methoxypentyl]benzenesulfonyl chloride
CID 124528663
4-[(1R)-1-methoxypentyl]benzenesulfonyl chloride
CID 124528664
4-[(1S)-1-methoxypropyl]benzenesulfonyl chloride
CID 124528657
4-(1-methoxy-3-methylbutyl)benzenesulfonyl chloride
CID 102543678
4-[(1R)-1-methoxy-3-methylbutyl]benzenesulfonyl chloride
CID 124528666
4-[(1S)-1-propoxypentyl]benzenesulfonyl chloride
CID 124528695
4-[(1R)-1-methoxybutyl]aniline
CID 124500573
1-[4-[(1S)-1-methoxybutyl]phenyl]ethanone
CID 124500308
4-butan-2-ylbenzenesulfonyl chloride
CID 3776048
4-[(2R)-butan-2-yl]benzenesulfonyl chloride
CID 98062552
4-[(1S)-1-ethoxyethyl]benzenesulfonyl chloride
CID 124528667
4-[(1S)-2-methyl-1-propoxypropyl]benzenesulfonyl chloride
CID 124528692

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride?
The IUPAC name of 4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride (CID 124528662) is 4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride is CCC[C@@H](OC)c1ccc(S(=O)(=O)Cl)cc1.
What is the InChIKey of 4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride?
The InChIKey is GVGWMIPEYFMQJS-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15ClO3S/c1-3-4-11(15-2)9-5-7-10(8-6-9)16(12,13)14/h5-8,11H,3-4H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride?
4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride has a molecular weight of 262.76 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-methoxybutyl]benzenesulfonyl chloride is sourced from PubChem (CID 124528662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).