N-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide

C12H19FN2O2S — CID 121274623

IUPACN-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide
SMILESCCN(c1cc(F)ccc1NC(C)C)S(C)(=O)=O
InChIInChI=1S/C12H19FN2O2S/c1-5-15(18(4,16)17)12-8-10(13)6-7-11(12)14-9(2)3/h6-9,14H,5H2,1-4H3
InChIKeyBBIAUBOQCCREPF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.43
Rot. Bonds5

About N-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide

N-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide (PubChem CID 121274623) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is N-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide
PubChem CID121274623
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC NameN-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide
SMILESCCN(c1cc(F)ccc1NC(C)C)S(C)(=O)=O
InChIInChI=1S/C12H19FN2O2S/c1-5-15(18(4,16)17)12-8-10(13)6-7-11(12)14-9(2)3/h6-9,14H,5H2,1-4H3
InChIKeyBBIAUBOQCCREPF-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide (CID 121274623) is N-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide is CCN(c1cc(F)ccc1NC(C)C)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide?
The InChIKey is BBIAUBOQCCREPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-5-15(18(4,16)17)12-8-10(13)6-7-11(12)14-9(2)3/h6-9,14H,5H2,1-4H3.
What are the key properties of N-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide?
N-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 121274623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).