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

C10H15FN2O2S — CID 70811596

IUPACN-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide
SMILESCC(C)Nc1ccc(F)cc1NS(C)(=O)=O
InChIInChI=1S/C10H15FN2O2S/c1-7(2)12-9-5-4-8(11)6-10(9)13-16(3,14)15/h4-7,12-13H,1-3H3
InChIKeyATDJNOUKMAMIQZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.02
Rot. Bonds4

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

N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide (PubChem CID 70811596) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide
PubChem CID70811596
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC NameN-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide
SMILESCC(C)Nc1ccc(F)cc1NS(C)(=O)=O
InChIInChI=1S/C10H15FN2O2S/c1-7(2)12-9-5-4-8(11)6-10(9)13-16(3,14)15/h4-7,12-13H,1-3H3
InChIKeyATDJNOUKMAMIQZ-UHFFFAOYSA-N
XLogP2.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
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]methanesulfonamide?
The IUPAC name of N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide (CID 70811596) is N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide is CC(C)Nc1ccc(F)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide?
The InChIKey is ATDJNOUKMAMIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-7(2)12-9-5-4-8(11)6-10(9)13-16(3,14)15/h4-7,12-13H,1-3H3.
What are the key properties of N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide?
N-[5-fluoro-2-(propan-2-ylamino)phenyl]methanesulfonamide has a molecular weight of 246.31 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 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]methanesulfonamide is sourced from PubChem (CID 70811596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).