N-(3-fluoro-4-methylphenyl)methanesulfonamide

C8H10FNO2S — CID 6468763

IUPACN-(3-fluoro-4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)cc1F
InChIInChI=1S/C8H10FNO2S/c1-6-3-4-7(5-8(6)9)10-13(2,11)12/h3-5,10H,1-2H3
InChIKeyHBYKKLHGXQITRT-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.51
Rot. Bonds2

About N-(3-fluoro-4-methylphenyl)methanesulfonamide

N-(3-fluoro-4-methylphenyl)methanesulfonamide (PubChem CID 6468763) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)methanesulfonamide
PubChem CID6468763
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC NameN-(3-fluoro-4-methylphenyl)methanesulfonamide
SMILESCc1ccc(NS(C)(=O)=O)cc1F
InChIInChI=1S/C8H10FNO2S/c1-6-3-4-7(5-8(6)9)10-13(2,11)12/h3-5,10H,1-2H3
InChIKeyHBYKKLHGXQITRT-UHFFFAOYSA-N
XLogP1.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)methanesulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)methanesulfonamide (CID 6468763) is N-(3-fluoro-4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)methanesulfonamide is Cc1ccc(NS(C)(=O)=O)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)methanesulfonamide?
The InChIKey is HBYKKLHGXQITRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c1-6-3-4-7(5-8(6)9)10-13(2,11)12/h3-5,10H,1-2H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)methanesulfonamide?
N-(3-fluoro-4-methylphenyl)methanesulfonamide has a molecular weight of 203.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 6468763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).