N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide

C18H17FN2O3S — CID 110660806

IUPACN-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC(C)c2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C18H17FN2O3S/c1-12-4-3-5-16(10-12)25(22,23)21-13(2)18-20-11-17(24-18)14-6-8-15(19)9-7-14/h3-11,13,21H,1-2H3
InChIKeyCBXYPOJZLSZWHO-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.83
Rot. Bonds5

About N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide

N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide (PubChem CID 110660806) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide
PubChem CID110660806
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC NameN-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NC(C)c2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C18H17FN2O3S/c1-12-4-3-5-16(10-12)25(22,23)21-13(2)18-20-11-17(24-18)14-6-8-15(19)9-7-14/h3-11,13,21H,1-2H3
InChIKeyCBXYPOJZLSZWHO-UHFFFAOYSA-N
XLogP3.83
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide?
The IUPAC name of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide (CID 110660806) is N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)NC(C)c2ncc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide?
The InChIKey is CBXYPOJZLSZWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-12-4-3-5-16(10-12)25(22,23)21-13(2)18-20-11-17(24-18)14-6-8-15(19)9-7-14/h3-11,13,21H,1-2H3.
What are the key properties of N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide?
N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide has a molecular weight of 360.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]ethyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 110660806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).