N-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide

C11H12F2N2O2S — CID 61124655

IUPACN-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide
SMILESCCCC(C#N)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O2S/c1-2-3-9(7-14)15-18(16,17)11-5-4-8(12)6-10(11)13/h4-6,9,15H,2-3H2,1H3
InChIKeySQNFRVMEVNLFBE-UHFFFAOYSA-N
MW274.29 g/mol
LogP1.94
Rot. Bonds5

About N-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide

N-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide (PubChem CID 61124655) has the molecular formula C11H12F2N2O2S and a molecular weight of 274.29 g/mol. Its IUPAC name is N-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide
PubChem CID61124655
Molecular FormulaC11H12F2N2O2S
Molecular Weight274.29 g/mol
Exact Mass274.06
IUPAC NameN-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide
SMILESCCCC(C#N)NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C11H12F2N2O2S/c1-2-3-9(7-14)15-18(16,17)11-5-4-8(12)6-10(11)13/h4-6,9,15H,2-3H2,1H3
InChIKeySQNFRVMEVNLFBE-UHFFFAOYSA-N
XLogP1.94
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanobutyl)-4-fluoro-2-methylbenzenesulfonamide
CID 61122459
2-bromo-N-(1-cyanobutyl)benzenesulfonamide
CID 61123856
4-bromo-N-(1-cyanobutyl)benzenesulfonamide
CID 61123069
N-(1-cyanobutyl)naphthalene-1-sulfonamide
CID 115755819
2,4-difluoro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502106
N-(1-cyanobutyl)-4-nitrobenzenesulfonamide
CID 61122661
N-(1-bromo-3-methylbutan-2-yl)-2,4-difluorobenzenesulfonamide
CID 114294704
N-(1-cyanobutyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 61124454
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716
N-(1-cyanobutyl)-1H-pyrazole-4-sulfonamide
CID 61123860
N-(1-cyanobutyl)quinoline-5-sulfonamide
CID 115755821
2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide
CID 5018850

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide (CID 61124655) is N-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide is CCCC(C#N)NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is SQNFRVMEVNLFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2S/c1-2-3-9(7-14)15-18(16,17)11-5-4-8(12)6-10(11)13/h4-6,9,15H,2-3H2,1H3.
What are the key properties of N-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide?
N-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 274.29 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 61124655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).