2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide

C15H25FN2O2S — CID 102920813

IUPAC2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCNCc1ccc(F)cc1S(=O)(=O)N(C)C(C)(C)CC
InChIInChI=1S/C15H25FN2O2S/c1-6-15(3,4)18(5)21(19,20)14-10-13(16)9-8-12(14)11-17-7-2/h8-10,17H,6-7,11H2,1-5H3
InChIKeyKYWJODNOKCIUDN-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.74
Rot. Bonds7

About 2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide

2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide (PubChem CID 102920813) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
PubChem CID102920813
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC Name2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
SMILESCCNCc1ccc(F)cc1S(=O)(=O)N(C)C(C)(C)CC
InChIInChI=1S/C15H25FN2O2S/c1-6-15(3,4)18(5)21(19,20)14-10-13(16)9-8-12(14)11-17-7-2/h8-10,17H,6-7,11H2,1-5H3
InChIKeyKYWJODNOKCIUDN-UHFFFAOYSA-N
XLogP2.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(ethylaminomethyl)-5-fluoro-N-methylbenzenesulfonamide
CID 102920241
N-[1-(dimethylamino)propan-2-yl]-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 106074335
N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920810
4-ethyl-3-[methyl(2-methylbutan-2-yl)sulfamoyl]benzoic acid
CID 63981719
2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide
CID 106055804
5-fluoro-N-methyl-N-propan-2-yl-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920255
5-fluoro-N-methyl-2-(propylaminomethyl)-N-prop-2-ynylbenzenesulfonamide
CID 102920924
N-[3-(dimethylamino)propyl]-5-fluoro-N-methyl-2-(methylaminomethyl)benzenesulfonamide
CID 102920795
N-cyclohexyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920439
5-fluoro-N-methyl-2-(methylaminomethyl)-N-(oxan-4-yl)benzenesulfonamide
CID 102920403
N-[[4-fluoro-2-(4-methylpiperidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 102920201
2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102921100

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide (CID 102920813) is 2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide is CCNCc1ccc(F)cc1S(=O)(=O)N(C)C(C)(C)CC.
What is the InChIKey of 2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
The InChIKey is KYWJODNOKCIUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-6-15(3,4)18(5)21(19,20)14-10-13(16)9-8-12(14)11-17-7-2/h8-10,17H,6-7,11H2,1-5H3.
What are the key properties of 2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide?
2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide has a molecular weight of 316.44 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-5-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide is sourced from PubChem (CID 102920813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).