5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide

C13H21FN2O3S — CID 106068482

IUPAC5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1cc(CN)ccc1F
InChIInChI=1S/C13H21FN2O3S/c1-3-4-11(9-19-2)16-20(17,18)13-7-10(8-15)5-6-12(13)14/h5-7,11,16H,3-4,8-9,15H2,1-2H3
InChIKeyLCWUIIIBXOEGGS-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.38
Rot. Bonds8

About 5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide

5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide (PubChem CID 106068482) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is 5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide
PubChem CID106068482
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide
SMILESCCCC(COC)NS(=O)(=O)c1cc(CN)ccc1F
InChIInChI=1S/C13H21FN2O3S/c1-3-4-11(9-19-2)16-20(17,18)13-7-10(8-15)5-6-12(13)14/h5-7,11,16H,3-4,8-9,15H2,1-2H3
InChIKeyLCWUIIIBXOEGGS-UHFFFAOYSA-N
XLogP1.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2-methoxy-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068431
5-(aminomethyl)-N-(1-ethoxypropan-2-yl)-2-fluorobenzenesulfonamide
CID 106054235
N-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzenesulfonamide
CID 114151665
4-(aminomethyl)-N-hexan-3-yl-2-methoxybenzenesulfonamide
CID 106055431
5-(aminomethyl)-N-(1-methoxypentan-2-yl)-2,4-dimethylbenzenesulfonamide
CID 106068509
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106079096
3-(aminomethyl)-5-chloro-N-(1-methoxypentan-2-yl)-2-methylbenzenesulfonamide
CID 106068571
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106084609
3-(aminomethyl)-2,4-dichloro-N-(1-methoxypentan-2-yl)benzenesulfonamide
CID 106068484
5-(aminomethyl)-2-bromo-N-(1-methoxypentan-2-yl)thiophene-3-sulfonamide
CID 106068581
4-(aminomethyl)-2-fluoro-N-pentan-2-ylbenzenesulfonamide
CID 114140395
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-5-nitrobenzenesulfonamide
CID 106156998

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide (CID 106068482) is 5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide is CCCC(COC)NS(=O)(=O)c1cc(CN)ccc1F.
What is the InChIKey of 5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide?
The InChIKey is LCWUIIIBXOEGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-3-4-11(9-19-2)16-20(17,18)13-7-10(8-15)5-6-12(13)14/h5-7,11,16H,3-4,8-9,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide?
5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-fluoro-N-(1-methoxypentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106068482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).