5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride

C12H12Cl2O3S — CID 114619989

IUPAC5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OC1C=CCCC1
InChIInChI=1S/C12H12Cl2O3S/c13-9-6-7-11(12(8-9)18(14,15)16)17-10-4-2-1-3-5-10/h2,4,6-8,10H,1,3,5H2
InChIKeyPYBFVABGJDCWCC-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.76
Rot. Bonds3

About 5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride

5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride (PubChem CID 114619989) has the molecular formula C12H12Cl2O3S and a molecular weight of 307.20 g/mol. Its IUPAC name is 5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride
PubChem CID114619989
Molecular FormulaC12H12Cl2O3S
Molecular Weight307.20 g/mol
Exact Mass305.99
IUPAC Name5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(Cl)ccc1OC1C=CCCC1
InChIInChI=1S/C12H12Cl2O3S/c13-9-6-7-11(12(8-9)18(14,15)16)17-10-4-2-1-3-5-10/h2,4,6-8,10H,1,3,5H2
InChIKeyPYBFVABGJDCWCC-UHFFFAOYSA-N
XLogP3.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-cycloheptyloxybenzenesulfonyl chloride
CID 82925914
4-cyclohex-2-en-1-yloxynaphthalene-1-sulfonyl chloride
CID 114619972
5-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 54206426
4-chloro-2-cyclohex-2-en-1-yloxybenzoic acid
CID 114619545
1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethanamine
CID 114619765
1-chloro-4-cyclohex-2-en-1-yloxybenzene
CID 15190705
4-cyclohex-2-en-1-yloxy-3-propan-2-ylbenzenesulfonamide
CID 114620295
3-tert-butyl-4-cyclohex-2-en-1-yloxybenzenesulfonamide
CID 114620297
N-[1-(5-chloro-2-cyclohex-2-en-1-yloxyphenyl)ethyl]propan-1-amine
CID 114619767
2-cycloheptyloxy-5-methylbenzenesulfonyl chloride
CID 82926228
5-chloro-2-(difluoromethoxy)benzenesulfonyl chloride
CID 51064979
2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride
CID 43247030

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride (CID 114619989) is 5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride is O=S(=O)(Cl)c1cc(Cl)ccc1OC1C=CCCC1.
What is the InChIKey of 5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride?
The InChIKey is PYBFVABGJDCWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O3S/c13-9-6-7-11(12(8-9)18(14,15)16)17-10-4-2-1-3-5-10/h2,4,6-8,10H,1,3,5H2.
What are the key properties of 5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride?
5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride has a molecular weight of 307.20 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyclohex-2-en-1-yloxybenzenesulfonyl chloride is sourced from PubChem (CID 114619989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).