N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide

C12H18FNO2S — CID 103461134

IUPACN-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H18FNO2S/c1-4-12(2,3)9-14-17(15,16)11-8-6-5-7-10(11)13/h5-8,14H,4,9H2,1-3H3
InChIKeyICQSUPWZBISUDQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.54
Rot. Bonds5

About N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide

N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide (PubChem CID 103461134) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
PubChem CID103461134
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC NameN-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
SMILESCCC(C)(C)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H18FNO2S/c1-4-12(2,3)9-14-17(15,16)11-8-6-5-7-10(11)13/h5-8,14H,4,9H2,1-3H3
InChIKeyICQSUPWZBISUDQ-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 106145865
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium
CID 2161438
2-amino-N-(2,2-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 103460021
4-(3-aminoprop-1-ynyl)-N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103464034
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-fluorobenzenesulfonamide
CID 71788798
2-fluoro-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)benzenesulfonamide
CID 90498025
N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 64570507
N-(3-bromo-2,2-dimethylpropyl)-2-methylbenzenesulfonamide
CID 115365244
2-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 65103391
N-(2,2-dimethylbutyl)-2,3-difluoro-5-(methylaminomethyl)benzenesulfonamide
CID 103466290
2-ethyl-2-[(2-fluorophenyl)sulfonylamino]butanethioamide
CID 61123886

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide (CID 103461134) is N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide is CCC(C)(C)CNS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide?
The InChIKey is ICQSUPWZBISUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-4-12(2,3)9-14-17(15,16)11-8-6-5-7-10(11)13/h5-8,14H,4,9H2,1-3H3.
What are the key properties of N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide?
N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide has a molecular weight of 259.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103461134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).