4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide

C9H13FN2O2S — CID 81434734

IUPAC4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(N)(=O)=O)cc(C)c1F
InChIInChI=1S/C9H13FN2O2S/c1-6-3-8(15(11,13)14)4-7(5-12-2)9(6)10/h3-4,12H,5H2,1-2H3,(H2,11,13,14)
InChIKeyNVJFJNFNFFXZJZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.50
Rot. Bonds3

About 4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide

4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 81434734) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
PubChem CID81434734
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Name4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(N)(=O)=O)cc(C)c1F
InChIInChI=1S/C9H13FN2O2S/c1-6-3-8(15(11,13)14)4-7(5-12-2)9(6)10/h3-4,12H,5H2,1-2H3,(H2,11,13,14)
InChIKeyNVJFJNFNFFXZJZ-UHFFFAOYSA-N
XLogP0.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(azepan-1-ylsulfonyl)-2-fluoro-3-methylphenyl]-N-methylmethanamine
CID 81427594
4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 81435959
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 81428139
4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106055480
4-fluoro-N-(1-methoxy-2-methylpropan-2-yl)-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106080738
1-[2-fluoro-3-methyl-5-[(5-methyl-3,6-dihydro-2H-pyridin-1-yl)sulfonyl]phenyl]-N-methylmethanamine
CID 106317115
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106082078
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077620
N-(1-ethylsulfanylpropan-2-yl)-4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106083397
N-(cyclobutylmethyl)-4-fluoro-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 81428132
4-fluoro-3-methyl-5-(methylaminomethyl)-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 106093342
N-ethyl-4-fluoro-3-methyl-5-(methylaminomethyl)-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 81427608

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide (CID 81434734) is 4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide is CNCc1cc(S(N)(=O)=O)cc(C)c1F.
What is the InChIKey of 4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is NVJFJNFNFFXZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-6-3-8(15(11,13)14)4-7(5-12-2)9(6)10/h3-4,12H,5H2,1-2H3,(H2,11,13,14).
What are the key properties of 4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide?
4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 232.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 81434734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).