[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride

C11H12Cl2O3S — CID 117475696

IUPAC[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(Cl)ccc1OCC1CC1
InChIInChI=1S/C11H12Cl2O3S/c12-10-3-4-11(16-6-8-1-2-8)9(5-10)7-17(13,14)15/h3-5,8H,1-2,6-7H2
InChIKeyHHTVBSLEQLADHP-UHFFFAOYSA-N
MW295.19 g/mol
LogP3.20
Rot. Bonds5

About [5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride

[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride (PubChem CID 117475696) has the molecular formula C11H12Cl2O3S and a molecular weight of 295.19 g/mol. Its IUPAC name is [5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride
PubChem CID117475696
Molecular FormulaC11H12Cl2O3S
Molecular Weight295.19 g/mol
Exact Mass293.99
IUPAC Name[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(Cl)ccc1OCC1CC1
InChIInChI=1S/C11H12Cl2O3S/c12-10-3-4-11(16-6-8-1-2-8)9(5-10)7-17(13,14)15/h3-5,8H,1-2,6-7H2
InChIKeyHHTVBSLEQLADHP-UHFFFAOYSA-N
XLogP3.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.19
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chloro-2-ethylphenoxy)methyl]piperidine;hydrochloride
CID 56830862
O-[2-[5-chloro-2-(cyclopropylmethoxy)phenyl]ethyl]hydroxylamine
CID 117356424
4-[(4-chloro-2-ethylphenoxy)methyl]-1-methylpiperidine;ethane
CID 143666320
1-[5-chloro-2-(cyclopropylmethoxy)phenyl]propan-2-ol
CID 117354157
[5-chloro-2-(cyclohexylmethoxy)phenyl]methanamine
CID 43141776
3-[5-chloro-2-(cyclobutylmethoxy)phenyl]propanal
CID 117384880
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-one
CID 117384831
1-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]piperazine
CID 117450901
4-chloro-1-(cyclopropylmethoxy)-2-nitrobenzene
CID 71758415
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
(5-chloro-2-fluorophenyl)methanesulfonyl chloride
CID 53401491
4-chloro-1-(cyclobutylmethoxy)-2-fluorobenzene
CID 130161233

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride?
The IUPAC name of [5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride (CID 117475696) is [5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride?
The canonical SMILES for [5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride is O=S(=O)(Cl)Cc1cc(Cl)ccc1OCC1CC1.
What is the InChIKey of [5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride?
The InChIKey is HHTVBSLEQLADHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3S/c12-10-3-4-11(16-6-8-1-2-8)9(5-10)7-17(13,14)15/h3-5,8H,1-2,6-7H2.
What are the key properties of [5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride?
[5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride has a molecular weight of 295.19 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(cyclopropylmethoxy)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117475696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).