N-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide

C9H12FNO2S — CID 67523054

IUPACN-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide
SMILESCc1ccc(F)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C9H12FNO2S/c1-7-4-5-8(10)6-9(7)11(2)14(3,12)13/h4-6H,1-3H3
InChIKeyAPQXDNBESYXNQB-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.53
Rot. Bonds2

About N-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide

N-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide (PubChem CID 67523054) has the molecular formula C9H12FNO2S and a molecular weight of 217.26 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide
PubChem CID67523054
Molecular FormulaC9H12FNO2S
Molecular Weight217.26 g/mol
Exact Mass217.06
IUPAC NameN-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide
SMILESCc1ccc(F)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C9H12FNO2S/c1-7-4-5-8(10)6-9(7)11(2)14(3,12)13/h4-6H,1-3H3
InChIKeyAPQXDNBESYXNQB-UHFFFAOYSA-N
XLogP1.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide (CID 67523054) is N-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide is Cc1ccc(F)cc1N(C)S(C)(=O)=O.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide?
The InChIKey is APQXDNBESYXNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2S/c1-7-4-5-8(10)6-9(7)11(2)14(3,12)13/h4-6H,1-3H3.
What are the key properties of N-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide?
N-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide has a molecular weight of 217.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 67523054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).