N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide

C15H24FNO3S — CID 102919768

IUPACN-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C15H24FNO3S/c1-4-12(5-2)10-17(6-3)21(19,20)15-9-14(16)8-7-13(15)11-18/h7-9,12,18H,4-6,10-11H2,1-3H3
InChIKeyBINSRZPFCRZPSQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.76
Rot. Bonds8

About N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide

N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide (PubChem CID 102919768) has the molecular formula C15H24FNO3S and a molecular weight of 317.43 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide
PubChem CID102919768
Molecular FormulaC15H24FNO3S
Molecular Weight317.43 g/mol
Exact Mass317.15
IUPAC NameN-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide
SMILESCCC(CC)CN(CC)S(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C15H24FNO3S/c1-4-12(5-2)10-17(6-3)21(19,20)15-9-14(16)8-7-13(15)11-18/h7-9,12,18H,4-6,10-11H2,1-3H3
InChIKeyBINSRZPFCRZPSQ-UHFFFAOYSA-N
XLogP2.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(hydroxymethyl)-N,N-dipropylbenzenesulfonamide
CID 102919677
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 102919721
N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919803
N-butan-2-yl-5-fluoro-2-(hydroxymethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 102919797
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentylbenzenesulfonamide
CID 102919704
2-[ethyl(2-methylbutyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919577
2-[ethyl(2-methylpropyl)sulfamoyl]-4-fluorobenzoic acid
CID 102919413
3-[ethyl-(5-fluoro-2-methylphenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910673
2-chloro-N,N-diethyl-5-fluorobenzenesulfonamide
CID 115610807
N-(cyclopropylmethyl)-N-ethyl-2-(ethylaminomethyl)-5-fluorobenzenesulfonamide
CID 102920810
5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102919744
N-(cyclobutylmethyl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919837

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide (CID 102919768) is N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide is CCC(CC)CN(CC)S(=O)(=O)c1cc(F)ccc1CO.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide?
The InChIKey is BINSRZPFCRZPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO3S/c1-4-12(5-2)10-17(6-3)21(19,20)15-9-14(16)8-7-13(15)11-18/h7-9,12,18H,4-6,10-11H2,1-3H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide?
N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide has a molecular weight of 317.43 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-5-fluoro-2-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 102919768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).