2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

C14H16FN3O2S — CID 106030969

IUPAC2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ccncc2)c(F)c1
InChIInChI=1S/C14H16FN3O2S/c1-16-9-12-2-3-14(13(15)8-12)21(19,20)18-10-11-4-6-17-7-5-11/h2-8,16,18H,9-10H2,1H3
InChIKeyOGZSBOPYGYYNIU-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.42
Rot. Bonds6

About 2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 106030969) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID106030969
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)NCc2ccncc2)c(F)c1
InChIInChI=1S/C14H16FN3O2S/c1-16-9-12-2-3-14(13(15)8-12)21(19,20)18-10-11-4-6-17-7-5-11/h2-8,16,18H,9-10H2,1H3
InChIKeyOGZSBOPYGYYNIU-UHFFFAOYSA-N
XLogP1.42
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424004
2-fluoro-4-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016085
2-fluoro-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 79190978
N-butyl-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79189657
2-fluoro-4-(methylaminomethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 79179657
2-fluoro-4-(methylaminomethyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 79179656
2-fluoro-4-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 79190551
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 79180054
2-fluoro-4-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033482
N-[2-(diethylamino)ethyl]-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106034982
2-fluoro-4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)benzenesulfonamide
CID 106078152
2,4-difluoro-N-[(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
CID 3315110

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 106030969) is 2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is CNCc1ccc(S(=O)(=O)NCc2ccncc2)c(F)c1.
What is the InChIKey of 2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is OGZSBOPYGYYNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-16-9-12-2-3-14(13(15)8-12)21(19,20)18-10-11-4-6-17-7-5-11/h2-8,16,18H,9-10H2,1H3.
What are the key properties of 2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 309.37 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(methylaminomethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106030969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).