4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide

C17H21FN2O3S — CID 10937079

IUPAC4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide
SMILESCCc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1
InChIInChI=1S/C17H21FN2O3S/c1-2-15-20-16(11-6-4-3-5-7-11)17(23-15)12-8-9-14(13(18)10-12)24(19,21)22/h8-11H,2-7H2,1H3,(H2,19,21,22)
InChIKeyKBTZNTKGFHORAG-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.74
Rot. Bonds4

About 4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide

4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide (PubChem CID 10937079) has the molecular formula C17H21FN2O3S and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide
PubChem CID10937079
Molecular FormulaC17H21FN2O3S
Molecular Weight352.43 g/mol
Exact Mass352.13
IUPAC Name4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide
SMILESCCc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1
InChIInChI=1S/C17H21FN2O3S/c1-2-15-20-16(11-6-4-3-5-7-11)17(23-15)12-8-9-14(13(18)10-12)24(19,21)22/h8-11H,2-7H2,1H3,(H2,19,21,22)
InChIKeyKBTZNTKGFHORAG-UHFFFAOYSA-N
XLogP3.74
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide (CID 10937079) is 4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide is CCc1nc(C2CCCCC2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1.
What is the InChIKey of 4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide?
The InChIKey is KBTZNTKGFHORAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3S/c1-2-15-20-16(11-6-4-3-5-7-11)17(23-15)12-8-9-14(13(18)10-12)24(19,21)22/h8-11H,2-7H2,1H3,(H2,19,21,22).
What are the key properties of 4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide?
4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide has a molecular weight of 352.43 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexyl-2-ethyl-1,3-oxazol-5-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 10937079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).