4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide

C14H19F2NO3S — CID 64729054

IUPAC4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide
SMILESCC1CC(C)CC(Oc2ccc(S(N)(=O)=O)c(F)c2F)C1
InChIInChI=1S/C14H19F2NO3S/c1-8-5-9(2)7-10(6-8)20-11-3-4-12(21(17,18)19)14(16)13(11)15/h3-4,8-10H,5-7H2,1-2H3,(H2,17,18,19)
InChIKeyVLBHWIUGXYSSES-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.82
Rot. Bonds3

About 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide

4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide (PubChem CID 64729054) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide
PubChem CID64729054
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide
SMILESCC1CC(C)CC(Oc2ccc(S(N)(=O)=O)c(F)c2F)C1
InChIInChI=1S/C14H19F2NO3S/c1-8-5-9(2)7-10(6-8)20-11-3-4-12(21(17,18)19)14(16)13(11)15/h3-4,8-10H,5-7H2,1-2H3,(H2,17,18,19)
InChIKeyVLBHWIUGXYSSES-UHFFFAOYSA-N
XLogP2.82
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide?
The IUPAC name of 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide (CID 64729054) is 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide.
What is the SMILES notation for 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide?
The canonical SMILES for 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide is CC1CC(C)CC(Oc2ccc(S(N)(=O)=O)c(F)c2F)C1.
What is the InChIKey of 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide?
The InChIKey is VLBHWIUGXYSSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c1-8-5-9(2)7-10(6-8)20-11-3-4-12(21(17,18)19)14(16)13(11)15/h3-4,8-10H,5-7H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide?
4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide has a molecular weight of 319.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylcyclohexyl)oxy-2,3-difluorobenzenesulfonamide is sourced from PubChem (CID 64729054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).