N-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide

C10H11FN2O3S — CID 12506993

IUPACN-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide
SMILESCCNS(=O)(=O)Cc1noc2ccc(F)cc12
InChIInChI=1S/C10H11FN2O3S/c1-2-12-17(14,15)6-9-8-5-7(11)3-4-10(8)16-13-9/h3-5,12H,2,6H2,1H3
InChIKeyYOJCYJNBSGYSLS-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.41
Rot. Bonds4

About N-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide

N-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide (PubChem CID 12506993) has the molecular formula C10H11FN2O3S and a molecular weight of 258.27 g/mol. Its IUPAC name is N-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide
PubChem CID12506993
Molecular FormulaC10H11FN2O3S
Molecular Weight258.27 g/mol
Exact Mass258.05
IUPAC NameN-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide
SMILESCCNS(=O)(=O)Cc1noc2ccc(F)cc12
InChIInChI=1S/C10H11FN2O3S/c1-2-12-17(14,15)6-9-8-5-7(11)3-4-10(8)16-13-9/h3-5,12H,2,6H2,1H3
InChIKeyYOJCYJNBSGYSLS-UHFFFAOYSA-N
XLogP1.41
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide?
The IUPAC name of N-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide (CID 12506993) is N-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide?
The canonical SMILES for N-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide is CCNS(=O)(=O)Cc1noc2ccc(F)cc12.
What is the InChIKey of N-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide?
The InChIKey is YOJCYJNBSGYSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3S/c1-2-12-17(14,15)6-9-8-5-7(11)3-4-10(8)16-13-9/h3-5,12H,2,6H2,1H3.
What are the key properties of N-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide?
N-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide has a molecular weight of 258.27 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-fluoro-1,2-benzoxazol-3-yl)methanesulfonamide is sourced from PubChem (CID 12506993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).