N-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide

C12H17FN2O3S — CID 43731804

IUPACN-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NC2CCOCC2)ccc1F
InChIInChI=1S/C12H17FN2O3S/c1-19(16,17)15-12-8-10(2-3-11(12)13)14-9-4-6-18-7-5-9/h2-3,8-9,14-15H,4-7H2,1H3
InChIKeySFIJTLKOQZSKMJ-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.79
Rot. Bonds4

About N-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide

N-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide (PubChem CID 43731804) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide
PubChem CID43731804
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NC2CCOCC2)ccc1F
InChIInChI=1S/C12H17FN2O3S/c1-19(16,17)15-12-8-10(2-3-11(12)13)14-9-4-6-18-7-5-9/h2-3,8-9,14-15H,4-7H2,1H3
InChIKeySFIJTLKOQZSKMJ-UHFFFAOYSA-N
XLogP1.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide (CID 43731804) is N-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(NC2CCOCC2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide?
The InChIKey is SFIJTLKOQZSKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-19(16,17)15-12-8-10(2-3-11(12)13)14-9-4-6-18-7-5-9/h2-3,8-9,14-15H,4-7H2,1H3.
What are the key properties of N-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide?
N-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(oxan-4-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 43731804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).