5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide

C12H18F2N2O2S — CID 106029984

IUPAC5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1cc(CN)cc(F)c1F
InChIInChI=1S/C12H18F2N2O2S/c1-7(2)8(3)16-19(17,18)11-5-9(6-15)4-10(13)12(11)14/h4-5,7-8,16H,6,15H2,1-3H3
InChIKeyPZPIUXDURCUGAO-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.75
Rot. Bonds5

About 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide

5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide (PubChem CID 106029984) has the molecular formula C12H18F2N2O2S and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
PubChem CID106029984
Molecular FormulaC12H18F2N2O2S
Molecular Weight292.35 g/mol
Exact Mass292.11
IUPAC Name5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
SMILESCC(C)C(C)NS(=O)(=O)c1cc(CN)cc(F)c1F
InChIInChI=1S/C12H18F2N2O2S/c1-7(2)8(3)16-19(17,18)11-5-9(6-15)4-10(13)12(11)14/h4-5,7-8,16H,6,15H2,1-3H3
InChIKeyPZPIUXDURCUGAO-UHFFFAOYSA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-2,3-difluoro-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079695
5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 65023136
5-(aminomethyl)-N-(2,3-dimethylbutyl)-2,3-difluorobenzenesulfonamide
CID 105122469
5-(aminomethyl)-2,3-difluoro-N-(3-methylbutyl)benzenesulfonamide
CID 106059156
5-(aminomethyl)-2,3-difluoro-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 106083895
5-(aminomethyl)-N-(4-ethylsulfanylbutan-2-yl)-2,3-difluorobenzenesulfonamide
CID 106084642
5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
CID 105118065
2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053788
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106079096
5-(aminomethyl)-N-cyclopentyl-2,3-difluorobenzenesulfonamide
CID 105120152
5-(aminomethyl)-N-(2-cyclopropylethyl)-2,3-difluorobenzenesulfonamide
CID 105122632
5-(aminomethyl)-2,3-difluoro-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106081990

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide (CID 106029984) is 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide is CC(C)C(C)NS(=O)(=O)c1cc(CN)cc(F)c1F.
What is the InChIKey of 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is PZPIUXDURCUGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2S/c1-7(2)8(3)16-19(17,18)11-5-9(6-15)4-10(13)12(11)14/h4-5,7-8,16H,6,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide?
5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 292.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106029984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).