2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide

C14H21FN2O3S — CID 106093867

IUPAC2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
SMILESCNCc1ccc(F)c(S(=O)(=O)NC2CCOC(C)C2)c1
InChIInChI=1S/C14H21FN2O3S/c1-10-7-12(5-6-20-10)17-21(18,19)14-8-11(9-16-2)3-4-13(14)15/h3-4,8,10,12,16-17H,5-7,9H2,1-2H3
InChIKeyRNVWCMWFQLAFMV-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.39
Rot. Bonds5

About 2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide

2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide (PubChem CID 106093867) has the molecular formula C14H21FN2O3S and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
PubChem CID106093867
Molecular FormulaC14H21FN2O3S
Molecular Weight316.40 g/mol
Exact Mass316.13
IUPAC Name2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
SMILESCNCc1ccc(F)c(S(=O)(=O)NC2CCOC(C)C2)c1
InChIInChI=1S/C14H21FN2O3S/c1-10-7-12(5-6-20-10)17-21(18,19)14-8-11(9-16-2)3-4-13(14)15/h3-4,8,10,12,16-17H,5-7,9H2,1-2H3
InChIKeyRNVWCMWFQLAFMV-UHFFFAOYSA-N
XLogP1.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093864
2,4-difluoro-3-(hydroxymethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106002581
2-fluoro-5-(methylaminomethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79359868
3-fluoro-4-[(2-methyloxan-4-yl)sulfamoyl]benzoic acid
CID 104654796
2-fluoro-4-(methylaminomethyl)-N-(oxolan-3-yl)benzenesulfonamide
CID 106072492
2-fluoro-5-(methylaminomethyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)benzenesulfonamide
CID 106072741
2-fluoro-4-(methylaminomethyl)-N-(3-methylcyclohexyl)benzenesulfonamide
CID 106027547
2-fluoro-N-methyl-5-(methylaminomethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82749260
4-(aminomethyl)-2-bromo-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093875
5-(aminomethyl)-2,3-dimethyl-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093981
2-fluoro-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106062919
4-methyl-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)thiophene-2-sulfonamide
CID 106093906

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide (CID 106093867) is 2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide is CNCc1ccc(F)c(S(=O)(=O)NC2CCOC(C)C2)c1.
What is the InChIKey of 2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide?
The InChIKey is RNVWCMWFQLAFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3S/c1-10-7-12(5-6-20-10)17-21(18,19)14-8-11(9-16-2)3-4-13(14)15/h3-4,8,10,12,16-17H,5-7,9H2,1-2H3.
What are the key properties of 2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide?
2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide has a molecular weight of 316.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(methylaminomethyl)-N-(2-methyloxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 106093867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).