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

C15H25FN2O2S — CID 106055480

IUPAC4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(C)c(F)c(CNC)c1
InChIInChI=1S/C15H25FN2O2S/c1-5-7-13(6-2)18-21(19,20)14-8-11(3)15(16)12(9-14)10-17-4/h8-9,13,17-18H,5-7,10H2,1-4H3
InChIKeyQCROOHKMNVFRMR-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.71
Rot. Bonds8

About 4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide

4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide (PubChem CID 106055480) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide
PubChem CID106055480
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(C)c(F)c(CNC)c1
InChIInChI=1S/C15H25FN2O2S/c1-5-7-13(6-2)18-21(19,20)14-8-11(3)15(16)12(9-14)10-17-4/h8-9,13,17-18H,5-7,10H2,1-4H3
InChIKeyQCROOHKMNVFRMR-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

2-fluoro-5-(hexan-3-ylsulfamoyl)-3-methylbenzoic acid
CID 81426532
N-(1-ethylsulfanylpropan-2-yl)-4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106083397
4-methyl-3-(methylaminomethyl)-N-pentan-3-ylbenzenesulfonamide
CID 106032169
N-(1-cyclobutylethyl)-4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106084928
4-fluoro-3-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 81434734
3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106055381
3-(ethylaminomethyl)-4-fluoro-N-hexan-3-ylbenzenesulfonamide
CID 106055487
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 81428139
4-fluoro-3-methyl-5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 106077620
N-(1-cyclopropylbutan-2-yl)-4-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106063977
1-[5-(azepan-1-ylsulfonyl)-2-fluoro-3-methylphenyl]-N-methylmethanamine
CID 81427594
N-hexan-3-yl-4-methyl-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106055304

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide (CID 106055480) is 4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide is CCCC(CC)NS(=O)(=O)c1cc(C)c(F)c(CNC)c1.
What is the InChIKey of 4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide?
The InChIKey is QCROOHKMNVFRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-5-7-13(6-2)18-21(19,20)14-8-11(3)15(16)12(9-14)10-17-4/h8-9,13,17-18H,5-7,10H2,1-4H3.
What are the key properties of 4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide?
4-fluoro-N-hexan-3-yl-3-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 4-fluoro-N-hexan-3-yl-3-methyl-5-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 106055480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).