5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide

C10H15FN2O2S — CID 71069685

IUPAC5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H15FN2O2S/c1-12-7-8-4-5-9(11)6-10(8)16(14,15)13(2)3/h4-6,12H,7H2,1-3H3
InChIKeySZCUAXRJSMDLJY-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.80
Rot. Bonds4

About 5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide

5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide (PubChem CID 71069685) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide
PubChem CID71069685
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC Name5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1ccc(F)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C10H15FN2O2S/c1-12-7-8-4-5-9(11)6-10(8)16(14,15)13(2)3/h4-6,12H,7H2,1-3H3
InChIKeySZCUAXRJSMDLJY-UHFFFAOYSA-N
XLogP0.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide (CID 71069685) is 5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide is CNCc1ccc(F)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide?
The InChIKey is SZCUAXRJSMDLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-12-7-8-4-5-9(11)6-10(8)16(14,15)13(2)3/h4-6,12H,7H2,1-3H3.
What are the key properties of 5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide?
5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide has a molecular weight of 246.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N,N-dimethyl-2-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 71069685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).