2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride

C12H13Cl3O3S — CID 43247030

IUPAC2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC2CCCCC2)c(Cl)c1Cl
InChIInChI=1S/C12H13Cl3O3S/c13-11-9(18-8-4-2-1-3-5-8)6-7-10(12(11)14)19(15,16)17/h6-8H,1-5H2
InChIKeyKJHUSZKPTOPAHO-UHFFFAOYSA-N
MW343.66 g/mol
LogP4.63
Rot. Bonds3

About 2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride

2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride (PubChem CID 43247030) has the molecular formula C12H13Cl3O3S and a molecular weight of 343.66 g/mol. Its IUPAC name is 2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride.

Molecular Properties

Compound Name2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride
PubChem CID43247030
Molecular FormulaC12H13Cl3O3S
Molecular Weight343.66 g/mol
Exact Mass341.97
IUPAC Name2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc(OC2CCCCC2)c(Cl)c1Cl
InChIInChI=1S/C12H13Cl3O3S/c13-11-9(18-8-4-2-1-3-5-8)6-7-10(12(11)14)19(15,16)17/h6-8H,1-5H2
InChIKeyKJHUSZKPTOPAHO-UHFFFAOYSA-N
XLogP4.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.66
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-cycloheptyloxybenzenesulfonyl chloride
CID 82925914
2,3-dichloro-4-(cyclohexylmethoxy)benzenesulfonyl chloride
CID 43134405
2-cycloheptyloxy-5-methylbenzenesulfonyl chloride
CID 82926228
4-cycloheptyloxy-2,5-dimethylbenzenesulfonyl chloride
CID 82934940
cyclobutyl 2,6-dichloro-3-chlorosulfonylbenzoate
CID 65374146
3-tert-butyl-4-cyclohexyloxybenzenesulfonyl chloride
CID 43247085
4-cycloheptyloxy-3-methylbenzenesulfonyl chloride
CID 82935748
4-cyclohexyloxy-2,3-dimethylbenzenesulfonamide
CID 43342353
3-chloro-4-cyclohexyloxybenzenesulfonyl fluoride
CID 165461386
2,3-dichloro-N-cyclopentyl-4-methoxy-N-methylbenzenesulfonamide
CID 30387821
2,4-bis(benzenesulfonyl)-1-cyclohexyloxybenzene
CID 54191170
4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride?
The IUPAC name of 2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride (CID 43247030) is 2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride.
What is the SMILES notation for 2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride?
The canonical SMILES for 2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride is O=S(=O)(Cl)c1ccc(OC2CCCCC2)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride?
The InChIKey is KJHUSZKPTOPAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3O3S/c13-11-9(18-8-4-2-1-3-5-8)6-7-10(12(11)14)19(15,16)17/h6-8H,1-5H2.
What are the key properties of 2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride?
2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride has a molecular weight of 343.66 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-cyclohexyloxybenzenesulfonyl chloride is sourced from PubChem (CID 43247030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).