4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline

C11H18FN3O2S — CID 114804109

IUPAC4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline
SMILESCC(C)(C)NS(=O)(=O)Nc1ccc(CN)cc1F
InChIInChI=1S/C11H18FN3O2S/c1-11(2,3)15-18(16,17)14-10-5-4-8(7-13)6-9(10)12/h4-6,14-15H,7,13H2,1-3H3
InChIKeyXYQQYJLZYDKTMW-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.33
Rot. Bonds4

About 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline

4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline (PubChem CID 114804109) has the molecular formula C11H18FN3O2S and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline
PubChem CID114804109
Molecular FormulaC11H18FN3O2S
Molecular Weight275.35 g/mol
Exact Mass275.11
IUPAC Name4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline
SMILESCC(C)(C)NS(=O)(=O)Nc1ccc(CN)cc1F
InChIInChI=1S/C11H18FN3O2S/c1-11(2,3)15-18(16,17)14-10-5-4-8(7-13)6-9(10)12/h4-6,14-15H,7,13H2,1-3H3
InChIKeyXYQQYJLZYDKTMW-UHFFFAOYSA-N
XLogP1.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-methoxyaniline
CID 114804141
1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide
CID 67318256
2-(aminomethyl)-N-(tert-butylsulfamoyl)-4-(trifluoromethyl)aniline
CID 114804120
[4-(tert-butylsulfonylmethyl)-3-fluorophenyl]methanamine
CID 64696756
2-bromo-N-(tert-butylsulfamoyl)-4-fluoroaniline
CID 104516960
5-(aminomethyl)-2-bromo-N-(4-bromo-2-fluorophenyl)benzenesulfonamide
CID 106058466
1-[4-(aminomethyl)phenyl]-N-(2-fluoro-4-methylphenyl)methanesulfonamide
CID 28892351
1-[3-(aminomethyl)phenyl]-N-tert-butylmethanesulfonamide
CID 54885768
2-N-(tert-butylsulfamoyl)-4-chlorobenzene-1,2-diamine
CID 114804191
(4-ethylsulfonyl-3-fluorophenyl)methanamine;hydrochloride
CID 91647705
[3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine
CID 64696823
4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
CID 106996572

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline?
The IUPAC name of 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline (CID 114804109) is 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline?
The canonical SMILES for 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline is CC(C)(C)NS(=O)(=O)Nc1ccc(CN)cc1F.
What is the InChIKey of 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline?
The InChIKey is XYQQYJLZYDKTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O2S/c1-11(2,3)15-18(16,17)14-10-5-4-8(7-13)6-9(10)12/h4-6,14-15H,7,13H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline?
4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline has a molecular weight of 275.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(tert-butylsulfamoyl)-2-fluoroaniline is sourced from PubChem (CID 114804109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).