N-[2-fluoro-5-(oxolan-3-ylamino)phenyl]methanesulfonamide

C11H15FN2O3S — CID 55203273

IUPACN-[2-fluoro-5-(oxolan-3-ylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NC2CCOC2)ccc1F
InChIInChI=1S/C11H15FN2O3S/c1-18(15,16)14-11-6-8(2-3-10(11)12)13-9-4-5-17-7-9/h2-3,6,9,13-14H,4-5,7H2,1H3
InChIKeyCRSIZSQETMLLFV-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.40
Rot. Bonds4

About N-[2-fluoro-5-(oxolan-3-ylamino)phenyl]methanesulfonamide

N-[2-fluoro-5-(oxolan-3-ylamino)phenyl]methanesulfonamide (PubChem CID 55203273) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-fluoro-5-(oxolan-3-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(oxolan-3-ylamino)phenyl]methanesulfonamide
PubChem CID55203273
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC NameN-[2-fluoro-5-(oxolan-3-ylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NC2CCOC2)ccc1F
InChIInChI=1S/C11H15FN2O3S/c1-18(15,16)14-11-6-8(2-3-10(11)12)13-9-4-5-17-7-9/h2-3,6,9,13-14H,4-5,7H2,1H3
InChIKeyCRSIZSQETMLLFV-UHFFFAOYSA-N
XLogP1.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.40
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-(oxolan-3-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-fluoro-5-(oxolan-3-ylamino)phenyl]methanesulfonamide (CID 55203273) is N-[2-fluoro-5-(oxolan-3-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-fluoro-5-(oxolan-3-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-fluoro-5-(oxolan-3-ylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(NC2CCOC2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(oxolan-3-ylamino)phenyl]methanesulfonamide?
The InChIKey is CRSIZSQETMLLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-18(15,16)14-11-6-8(2-3-10(11)12)13-9-4-5-17-7-9/h2-3,6,9,13-14H,4-5,7H2,1H3.
What are the key properties of N-[2-fluoro-5-(oxolan-3-ylamino)phenyl]methanesulfonamide?
N-[2-fluoro-5-(oxolan-3-ylamino)phenyl]methanesulfonamide has a molecular weight of 274.32 g/mol, XLogP of 1.40, 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-(oxolan-3-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 55203273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).