4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride

C14H17ClF2O3S — CID 64736683

IUPAC4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride
SMILESCC1CC(C)CC(Oc2ccc(S(=O)(=O)Cl)c(F)c2F)C1
InChIInChI=1S/C14H17ClF2O3S/c1-8-5-9(2)7-10(6-8)20-11-3-4-12(21(15,18)19)14(17)13(11)16/h3-4,8-10H,5-7H2,1-2H3
InChIKeyNWMXBXRSIUWTER-UHFFFAOYSA-N
MW338.80 g/mol
LogP4.10
Rot. Bonds3

About 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride

4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride (PubChem CID 64736683) has the molecular formula C14H17ClF2O3S and a molecular weight of 338.80 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride
PubChem CID64736683
Molecular FormulaC14H17ClF2O3S
Molecular Weight338.80 g/mol
Exact Mass338.06
IUPAC Name4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride
SMILESCC1CC(C)CC(Oc2ccc(S(=O)(=O)Cl)c(F)c2F)C1
InChIInChI=1S/C14H17ClF2O3S/c1-8-5-9(2)7-10(6-8)20-11-3-4-12(21(15,18)19)14(17)13(11)16/h3-4,8-10H,5-7H2,1-2H3
InChIKeyNWMXBXRSIUWTER-UHFFFAOYSA-N
XLogP4.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.80
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(Benzyloxy)benzene-1-sulfonyl chloride
CID 4738385
4-(Benzyloxy)-3-fluorobenzene-1-sulfonyl chloride
CID 20114091
3-Fluoro-4-methoxy-2-methylbenzene-1-sulfonyl chloride
CID 75480425
4-{[4-(Propan-2-yl)phenyl]methoxy}benzene-1-sulfonyl chloride
CID 43123791
4-[(3,5-Difluorobenzyl)oxy]benzenesulfonyl chloride
CID 17942480
3-Fluoro-4-isopropoxybenzene-1-sulfonyl chloride
CID 18071172
4-[(4-Fluorophenyl)methoxy]benzene-1-sulfonyl chloride
CID 18179424
4-Butoxy-3-fluorobenzenesulfonyl chloride
CID 20113251
2-Fluoro-4-propoxybenzenesulfonyl chloride
CID 20113523
4-[(3-Fluorophenyl)methoxy]benzenesulfonyl chloride
CID 20114107
2-Fluoro-4-isopropoxybenzenesulfonyl chloride
CID 20120182
4-[3-(Trifluoromethyl)phenoxy]benzenesulfonyl chloride
CID 43103672

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride (CID 64736683) is 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride is CC1CC(C)CC(Oc2ccc(S(=O)(=O)Cl)c(F)c2F)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride?
The InChIKey is NWMXBXRSIUWTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2O3S/c1-8-5-9(2)7-10(6-8)20-11-3-4-12(21(15,18)19)14(17)13(11)16/h3-4,8-10H,5-7H2,1-2H3.
What are the key properties of 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride?
4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride has a molecular weight of 338.80 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonyl chloride is sourced from PubChem (CID 64736683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).