N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide

C11H17FN2O2S — CID 70811557

IUPACN-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide
SMILESCC(C)N(C)c1ccc(F)cc1NS(C)(=O)=O
InChIInChI=1S/C11H17FN2O2S/c1-8(2)14(3)11-6-5-9(12)7-10(11)13-17(4,15)16/h5-8,13H,1-4H3
InChIKeyLCTIRVVTEOEGAF-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.04
Rot. Bonds4

About N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide

N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide (PubChem CID 70811557) has the molecular formula C11H17FN2O2S and a molecular weight of 260.33 g/mol. Its IUPAC name is N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide
PubChem CID70811557
Molecular FormulaC11H17FN2O2S
Molecular Weight260.33 g/mol
Exact Mass260.10
IUPAC NameN-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide
SMILESCC(C)N(C)c1ccc(F)cc1NS(C)(=O)=O
InChIInChI=1S/C11H17FN2O2S/c1-8(2)14(3)11-6-5-9(12)7-10(11)13-17(4,15)16/h5-8,13H,1-4H3
InChIKeyLCTIRVVTEOEGAF-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-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide?
The IUPAC name of N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide (CID 70811557) is N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide?
The canonical SMILES for N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide is CC(C)N(C)c1ccc(F)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide?
The InChIKey is LCTIRVVTEOEGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2S/c1-8(2)14(3)11-6-5-9(12)7-10(11)13-17(4,15)16/h5-8,13H,1-4H3.
What are the key properties of N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide?
N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide 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-[methyl(propan-2-yl)amino]phenyl]methanesulfonamide is sourced from PubChem (CID 70811557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).