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

C11H17FN2O2S — CID 70939950

IUPACN-[5-fluoro-2-(propan-2-ylamino)phenyl]-N-methylmethanesulfonamide
SMILESCC(C)Nc1ccc(F)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C11H17FN2O2S/c1-8(2)13-10-6-5-9(12)7-11(10)14(3)17(4,15)16/h5-8,13H,1-4H3
InChIKeyGQYUGTRDOKEPGS-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.04
Rot. Bonds4

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

N-[5-fluoro-2-(propan-2-ylamino)phenyl]-N-methylmethanesulfonamide (PubChem CID 70939950) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[5-fluoro-2-(propan-2-ylamino)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(propan-2-ylamino)phenyl]-N-methylmethanesulfonamide
PubChem CID70939950
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC NameN-[5-fluoro-2-(propan-2-ylamino)phenyl]-N-methylmethanesulfonamide
SMILESCC(C)Nc1ccc(F)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C11H17FN2O2S/c1-8(2)13-10-6-5-9(12)7-11(10)14(3)17(4,15)16/h5-8,13H,1-4H3
InChIKeyGQYUGTRDOKEPGS-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-2-(propan-2-ylamino)phenyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[5-fluoro-2-(propan-2-ylamino)phenyl]-N-methylmethanesulfonamide (CID 70939950) is N-[5-fluoro-2-(propan-2-ylamino)phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[5-fluoro-2-(propan-2-ylamino)phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[5-fluoro-2-(propan-2-ylamino)phenyl]-N-methylmethanesulfonamide is CC(C)Nc1ccc(F)cc1N(C)S(C)(=O)=O.
What is the InChIKey of N-[5-fluoro-2-(propan-2-ylamino)phenyl]-N-methylmethanesulfonamide?
The InChIKey is GQYUGTRDOKEPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-8(2)13-10-6-5-9(12)7-11(10)14(3)17(4,15)16/h5-8,13H,1-4H3.
What are the key properties of N-[5-fluoro-2-(propan-2-ylamino)phenyl]-N-methylmethanesulfonamide?
N-[5-fluoro-2-(propan-2-ylamino)phenyl]-N-methylmethanesulfonamide has a molecular weight of 260.33 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-2-(propan-2-ylamino)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 70939950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).