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

C12H19FN2O2S — CID 70939943

IUPACN-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]-N-methylmethanesulfonamide
SMILESCC(C)N(C)c1ccc(F)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C12H19FN2O2S/c1-9(2)14(3)11-7-6-10(13)8-12(11)15(4)18(5,16)17/h6-9H,1-5H3
InChIKeyLVJHQEYIXXNSSF-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.07
Rot. Bonds4

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

N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]-N-methylmethanesulfonamide (PubChem CID 70939943) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]-N-methylmethanesulfonamide
PubChem CID70939943
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC NameN-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]-N-methylmethanesulfonamide
SMILESCC(C)N(C)c1ccc(F)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C12H19FN2O2S/c1-9(2)14(3)11-7-6-10(13)8-12(11)15(4)18(5,16)17/h6-9H,1-5H3
InChIKeyLVJHQEYIXXNSSF-UHFFFAOYSA-N
XLogP2.07
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.07
H-Bond Donors ≤ 50
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]-N-methylmethanesulfonamide?
The IUPAC name of N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]-N-methylmethanesulfonamide (CID 70939943) is N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]-N-methylmethanesulfonamide is CC(C)N(C)c1ccc(F)cc1N(C)S(C)(=O)=O.
What is the InChIKey of N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]-N-methylmethanesulfonamide?
The InChIKey is LVJHQEYIXXNSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-9(2)14(3)11-7-6-10(13)8-12(11)15(4)18(5,16)17/h6-9H,1-5H3.
What are the key properties of N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]-N-methylmethanesulfonamide?
N-[5-fluoro-2-[methyl(propan-2-yl)amino]phenyl]-N-methylmethanesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 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]-N-methylmethanesulfonamide is sourced from PubChem (CID 70939943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).