5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide

C12H19FN2O2S — CID 28718664

IUPAC5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(CCN)ccc1F
InChIInChI=1S/C12H19FN2O2S/c1-12(2,3)15-18(16,17)11-8-9(6-7-14)4-5-10(11)13/h4-5,8,15H,6-7,14H2,1-3H3
InChIKeyCEMXUWZGCGSKCS-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.40
Rot. Bonds4

About 5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide

5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide (PubChem CID 28718664) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is 5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide
PubChem CID28718664
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC Name5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(CCN)ccc1F
InChIInChI=1S/C12H19FN2O2S/c1-12(2,3)15-18(16,17)11-8-9(6-7-14)4-5-10(11)13/h4-5,8,15H,6-7,14H2,1-3H3
InChIKeyCEMXUWZGCGSKCS-UHFFFAOYSA-N
XLogP1.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863
5-(2-aminoethyl)-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28718585
N-tert-butyl-5-ethoxy-2-fluorobenzenesulfonamide
CID 164769264
3-(tert-butylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 25035469
3-(tert-butylsulfamoyl)-4-fluoro-N-methylbenzamide
CID 47165468
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 106079096
2-(3-fluoro-4-methylsulfonylphenyl)ethanamine
CID 84785221
4-(aminomethyl)-N-[3-(tert-butylsulfamoyl)-4-fluorophenyl]oxane-4-carboxamide
CID 120934525
N-(1-amino-3-methylpentan-3-yl)-2,5-difluorobenzenesulfonamide
CID 106165234
2-amino-N-[5-(tert-butylsulfamoyl)-2,4-difluorophenyl]acetamide
CID 119332348
N-[[4-(2-aminoethyl)phenyl]methyl]-2-fluorobenzenesulfonamide
CID 62502665
5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28716292

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
The IUPAC name of 5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide (CID 28718664) is 5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cc(CCN)ccc1F.
What is the InChIKey of 5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
The InChIKey is CEMXUWZGCGSKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-12(2,3)15-18(16,17)11-8-9(6-7-14)4-5-10(11)13/h4-5,8,15H,6-7,14H2,1-3H3.
What are the key properties of 5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-N-tert-butyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 28718664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).