2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide

C14H22F2N2O2S — CID 106053788

IUPAC2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cc(CNC)cc(F)c1F
InChIInChI=1S/C14H22F2N2O2S/c1-5-9(2)10(3)18-21(19,20)13-7-11(8-17-4)6-12(15)14(13)16/h6-7,9-10,17-18H,5,8H2,1-4H3
InChIKeyZIZPSPAMRAXTOO-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.40
Rot. Bonds7

About 2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide

2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide (PubChem CID 106053788) has the molecular formula C14H22F2N2O2S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
PubChem CID106053788
Molecular FormulaC14H22F2N2O2S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
SMILESCCC(C)C(C)NS(=O)(=O)c1cc(CNC)cc(F)c1F
InChIInChI=1S/C14H22F2N2O2S/c1-5-9(2)10(3)18-21(19,20)13-7-11(8-17-4)6-12(15)14(13)16/h6-7,9-10,17-18H,5,8H2,1-4H3
InChIKeyZIZPSPAMRAXTOO-UHFFFAOYSA-N
XLogP2.40
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053715
2-chloro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053736
5-(aminomethyl)-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106029984
2,4-dimethyl-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053867
N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide
CID 103466290
5-(chloromethyl)-2,3-difluoro-N-propan-2-ylbenzenesulfonamide
CID 105118065
3-fluoro-N-hexan-3-yl-2-methyl-5-(methylaminomethyl)benzenesulfonamide
CID 106055381
5-amino-2-fluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54949598
3-fluoro-2-methyl-5-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 106079677
3-(aminomethyl)-2,4-difluoro-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 106053770
2,3-difluoro-N-(furan-2-ylmethyl)-5-(methylaminomethyl)benzenesulfonamide
CID 105120080
5-(ethylaminomethyl)-2,3-difluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102701500

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide (CID 106053788) is 2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide is CCC(C)C(C)NS(=O)(=O)c1cc(CNC)cc(F)c1F.
What is the InChIKey of 2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide?
The InChIKey is ZIZPSPAMRAXTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2O2S/c1-5-9(2)10(3)18-21(19,20)13-7-11(8-17-4)6-12(15)14(13)16/h6-7,9-10,17-18H,5,8H2,1-4H3.
What are the key properties of 2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide?
2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-5-(methylaminomethyl)-N-(3-methylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 106053788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).