4-(cyclopentylmethoxy)benzenesulfonyl chloride

C12H15ClO3S — CID 61343179

IUPAC4-(cyclopentylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCC2CCCC2)cc1
InChIInChI=1S/C12H15ClO3S/c13-17(14,15)12-7-5-11(6-8-12)16-9-10-3-1-2-4-10/h5-8,10H,1-4,9H2
InChIKeyJXSWWAWHEBFOQO-UHFFFAOYSA-N
MW274.77 g/mol
LogP3.18
Rot. Bonds4

About 4-(cyclopentylmethoxy)benzenesulfonyl chloride

4-(cyclopentylmethoxy)benzenesulfonyl chloride (PubChem CID 61343179) has the molecular formula C12H15ClO3S and a molecular weight of 274.77 g/mol. Its IUPAC name is 4-(cyclopentylmethoxy)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(cyclopentylmethoxy)benzenesulfonyl chloride
PubChem CID61343179
Molecular FormulaC12H15ClO3S
Molecular Weight274.77 g/mol
Exact Mass274.04
IUPAC Name4-(cyclopentylmethoxy)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OCC2CCCC2)cc1
InChIInChI=1S/C12H15ClO3S/c13-17(14,15)12-7-5-11(6-8-12)16-9-10-3-1-2-4-10/h5-8,10H,1-4,9H2
InChIKeyJXSWWAWHEBFOQO-UHFFFAOYSA-N
XLogP3.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclohexylmethoxy)benzenesulfinyl chloride
CID 138665200
cyclopentylmethyl 3-(4-chlorosulfonylphenyl)propanoate
CID 66323165
cyclohexylmethoxybenzene
CID 14399287
1-(bromomethyl)-4-(cyclopentylmethoxy)benzene
CID 61343018
4-(cyclobutylmethoxy)benzenethiol
CID 97179596
1-[1-(benzenesulfonyl)cyclopentyl]-4-(cyclohexylmethoxy)benzene
CID 155297824
1-(cyclohexylmethoxy)-4-phenylbenzene
CID 59950067
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
(4-ethylphenoxy)methylcycloheptane
CID 142027305
[4-(cyclopentylmethoxy)phenyl]-cyclopropylmethanone
CID 6482543
2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride
CID 43134405
4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
CID 10039177

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethoxy)benzenesulfonyl chloride?
The IUPAC name of 4-(cyclopentylmethoxy)benzenesulfonyl chloride (CID 61343179) is 4-(cyclopentylmethoxy)benzenesulfonyl chloride.
What is the SMILES notation for 4-(cyclopentylmethoxy)benzenesulfonyl chloride?
The canonical SMILES for 4-(cyclopentylmethoxy)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OCC2CCCC2)cc1.
What is the InChIKey of 4-(cyclopentylmethoxy)benzenesulfonyl chloride?
The InChIKey is JXSWWAWHEBFOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3S/c13-17(14,15)12-7-5-11(6-8-12)16-9-10-3-1-2-4-10/h5-8,10H,1-4,9H2.
What are the key properties of 4-(cyclopentylmethoxy)benzenesulfonyl chloride?
4-(cyclopentylmethoxy)benzenesulfonyl chloride has a molecular weight of 274.77 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethoxy)benzenesulfonyl chloride is sourced from PubChem (CID 61343179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).