1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide

C15H10F4N2O3S — CID 72719857

IUPAC1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F4N2O3S/c16-12-6-5-9(7-11(12)15(17,18)19)21-25(22,23)8-13-10-3-1-2-4-14(10)24-20-13/h1-7,21H,8H2
InChIKeyWSCLAXNLLRZGAY-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.93
Rot. Bonds4

About 1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 72719857) has the molecular formula C15H10F4N2O3S and a molecular weight of 374.32 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID72719857
Molecular FormulaC15H10F4N2O3S
Molecular Weight374.32 g/mol
Exact Mass374.03
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1noc2ccccc12)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C15H10F4N2O3S/c16-12-6-5-9(7-11(12)15(17,18)19)21-25(22,23)8-13-10-3-1-2-4-14(10)24-20-13/h1-7,21H,8H2
InChIKeyWSCLAXNLLRZGAY-UHFFFAOYSA-N
XLogP3.93
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide (CID 72719857) is 1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1noc2ccccc12)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is WSCLAXNLLRZGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N2O3S/c16-12-6-5-9(7-11(12)15(17,18)19)21-25(22,23)8-13-10-3-1-2-4-14(10)24-20-13/h1-7,21H,8H2.
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 374.32 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 72719857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).