N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide

C16H15FN2O3S — CID 110791021

IUPACN-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCc1ccc2ncoc2c1
InChIInChI=1S/C16H15FN2O3S/c17-14-4-1-13(2-5-14)10-23(20,21)19-8-7-12-3-6-15-16(9-12)22-11-18-15/h1-6,9,11,19H,7-8,10H2
InChIKeyYBVYUCCZDLMFGY-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.63
Rot. Bonds6

About N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide

N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 110791021) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID110791021
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC NameN-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCCc1ccc2ncoc2c1
InChIInChI=1S/C16H15FN2O3S/c17-14-4-1-13(2-5-14)10-23(20,21)19-8-7-12-3-6-15-16(9-12)22-11-18-15/h1-6,9,11,19H,7-8,10H2
InChIKeyYBVYUCCZDLMFGY-UHFFFAOYSA-N
XLogP2.63
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide (CID 110791021) is N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCCc1ccc2ncoc2c1.
What is the InChIKey of N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is YBVYUCCZDLMFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c17-14-4-1-13(2-5-14)10-23(20,21)19-8-7-12-3-6-15-16(9-12)22-11-18-15/h1-6,9,11,19H,7-8,10H2.
What are the key properties of N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 334.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-6-yl)ethyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 110791021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).