N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide

C12H18FNO2S — CID 64570507

IUPACN-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
SMILESCC(C)C(C)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H18FNO2S/c1-9(2)10(3)8-14-17(15,16)12-7-5-4-6-11(12)13/h4-7,9-10,14H,8H2,1-3H3
InChIKeyCXTRSIRAQUDSSN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.40
Rot. Bonds5

About N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide

N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide (PubChem CID 64570507) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
PubChem CID64570507
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC NameN-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
SMILESCC(C)C(C)CNS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H18FNO2S/c1-9(2)10(3)8-14-17(15,16)12-7-5-4-6-11(12)13/h4-7,9-10,14H,8H2,1-3H3
InChIKeyCXTRSIRAQUDSSN-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(2,3-dimethylbutyl)benzene-1,2-disulfonamide
CID 64596836
2-fluoro-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 115763664
4-(aminomethyl)-N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 79190769
5-[(2-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683197
N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide
CID 177376824
N-[(2R)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide
CID 171714588
diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium
CID 2161438
2-fluoro-N-(2-methylpropoxy)benzenesulfonamide
CID 82715459
2-amino-N-(2,3-dimethylbutyl)-4-fluorobenzenesulfonamide
CID 64568404
2-fluoro-N-[2-methoxy-2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 90598088
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
CID 7497838
2-fluoro-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
CID 97416938

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide (CID 64570507) is N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide is CC(C)C(C)CNS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide?
The InChIKey is CXTRSIRAQUDSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-9(2)10(3)8-14-17(15,16)12-7-5-4-6-11(12)13/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide?
N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide has a molecular weight of 259.35 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 64570507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).