N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide

C15H17FN2O2S — CID 106061777

IUPACN-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1C
InChIInChI=1S/C15H17FN2O2S/c1-11-12(10-17-2)4-3-5-15(11)21(19,20)18-14-8-6-13(16)7-9-14/h3-9,17-18H,10H2,1-2H3
InChIKeyZIEZSGNQUXJQRD-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.65
Rot. Bonds5

About N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide

N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 106061777) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
PubChem CID106061777
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC NameN-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1C
InChIInChI=1S/C15H17FN2O2S/c1-11-12(10-17-2)4-3-5-15(11)21(19,20)18-14-8-6-13(16)7-9-14/h3-9,17-18H,10H2,1-2H3
InChIKeyZIEZSGNQUXJQRD-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

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Related Compounds

2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030057
2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065542
2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031858
2-methyl-3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063193
N-(4-fluorophenyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106061658
2-fluoro-N-[4-(methylaminomethyl)phenyl]benzenesulfonamide
CID 106911076
2-methyl-3-(methylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 106017053
2-methyl-3-(methylaminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 106075836
N-(4-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 80503785
2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide
CID 143195069
N-(4-ethylsulfanylbutan-2-yl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106084684
2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride
CID 143195068

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide (CID 106061777) is N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1C.
What is the InChIKey of N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is ZIEZSGNQUXJQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11-12(10-17-2)4-3-5-15(11)21(19,20)18-14-8-6-13(16)7-9-14/h3-9,17-18H,10H2,1-2H3.
What are the key properties of N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide?
N-(4-fluorophenyl)-2-methyl-3-(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-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106061777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).