N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide

C15H17FN2O2S — CID 106060591

IUPACN-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C15H17FN2O2S/c1-11-6-7-12(10-17-2)8-15(11)21(19,20)18-14-5-3-4-13(16)9-14/h3-9,17-18H,10H2,1-2H3
InChIKeyDZVGXSMIJOTYEV-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.65
Rot. Bonds5

About N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide

N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 106060591) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
PubChem CID106060591
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(C)c(S(=O)(=O)Nc2cccc(F)c2)c1
InChIInChI=1S/C15H17FN2O2S/c1-11-6-7-12(10-17-2)8-15(11)21(19,20)18-14-5-3-4-13(16)9-14/h3-9,17-18H,10H2,1-2H3
InChIKeyDZVGXSMIJOTYEV-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-fluorophenyl)-2-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

2-chloro-N-(3-fluorophenyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106060611
N-(4-bromophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106061352
2-methyl-5-(methylaminomethyl)-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 106087992
2-fluoro-N-(3-iodophenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 106029453
4-chloro-N-(3-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 17377299
N-(2-iodophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106030183
5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 29277276
N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758953
2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606229
5-fluoro-N-[3-(1-hydroxyethyl)phenyl]-2-methylbenzenesulfonamide
CID 43508629
2-methyl-5-(methylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081913
4-(ethylaminomethyl)-N-(3-fluorophenyl)benzenesulfonamide
CID 28715922

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide (CID 106060591) is N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(C)c(S(=O)(=O)Nc2cccc(F)c2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is DZVGXSMIJOTYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-6-7-12(10-17-2)8-15(11)21(19,20)18-14-5-3-4-13(16)9-14/h3-9,17-18H,10H2,1-2H3.
What are the key properties of N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106060591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).