N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide

C12H19FN2O2S — CID 115310585

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H19FN2O2S/c1-9(2)12(3,8-14)15-18(16,17)11-6-4-5-10(13)7-11/h4-7,9,15H,8,14H2,1-3H3
InChIKeyMJJLGNPEIRAPIZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.48
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide

N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide (PubChem CID 115310585) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide
PubChem CID115310585
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide
SMILESCC(C)C(C)(CN)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H19FN2O2S/c1-9(2)12(3,8-14)15-18(16,17)11-6-4-5-10(13)7-11/h4-7,9,15H,8,14H2,1-3H3
InChIKeyMJJLGNPEIRAPIZ-UHFFFAOYSA-N
XLogP1.48
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-N-(1-amino-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 115310619
N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119981274
N-(1-amino-2-cyclopropylpropan-2-yl)-3-fluorobenzenesulfonamide
CID 115307970
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 115310559
N-(1-amino-2,3-dimethylbutan-2-yl)-4-fluoro-3-nitrobenzenesulfonamide
CID 115310593
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 115310726
N-(1-amino-2,3-dimethylbutan-2-yl)-2,3,4-trifluorobenzenesulfonamide
CID 115310595
N-(1-amino-2,3-dimethylbutan-2-yl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527968
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluoro-2-nitrobenzenesulfonamide
CID 115993179
2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262307
N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 120582009
4-[(1-amino-2,3-dimethylbutan-2-yl)sulfamoyl]benzamide
CID 115310574

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide (CID 115310585) is N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide is CC(C)C(C)(CN)NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide?
The InChIKey is MJJLGNPEIRAPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-9(2)12(3,8-14)15-18(16,17)11-6-4-5-10(13)7-11/h4-7,9,15H,8,14H2,1-3H3.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide?
N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 115310585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).