3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide

C15H25FN2O2S — CID 106055381

IUPAC3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CNC)cc(F)c1C
InChIInChI=1S/C15H25FN2O2S/c1-5-7-13(6-2)18-21(19,20)15-9-12(10-17-4)8-14(16)11(15)3/h8-9,13,17-18H,5-7,10H2,1-4H3
InChIKeyGDRIQICQQLMBOU-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.71
Rot. Bonds8

About 3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide

3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 106055381) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide
PubChem CID106055381
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CNC)cc(F)c1C
InChIInChI=1S/C15H25FN2O2S/c1-5-7-13(6-2)18-21(19,20)15-9-12(10-17-4)8-14(16)11(15)3/h8-9,13,17-18H,5-7,10H2,1-4H3
InChIKeyGDRIQICQQLMBOU-UHFFFAOYSA-N
XLogP2.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-2-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079677
N-(1-cyclobutylethyl)-3-fluoro-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084830
5-amino-2,3-difluoro-N-hexan-3-ylbenzenesulfonamide
CID 65021029
3-fluoro-2-methyl-5-(methylaminomethyl)-N-(3-methylsulfanylbutyl)benzenesulfonamide
CID 106082235
3-amino-5-chloro-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 114379488
2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053788
2-fluoro-4-(methylaminomethyl)-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083931
4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106055480
N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055304
3-amino-N-hexan-3-yl-2-methylbenzenesulfonamide
CID 62118151
5-(aminomethyl)-2,3-difluoro-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083895
4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide
CID 106055431

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide (CID 106055381) is 3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide is CCCC(CC)NS(=O)(=O)c1cc(CNC)cc(F)c1C.
What is the InChIKey of 3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is GDRIQICQQLMBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-5-7-13(6-2)18-21(19,20)15-9-12(10-17-4)8-14(16)11(15)3/h8-9,13,17-18H,5-7,10H2,1-4H3.
What are the key properties of 3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide?
3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide has a molecular weight of 316.44 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106055381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).