4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide

C11H16FNO3S — CID 79387236

IUPAC4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO3S/c1-11(2,14)8-13(3)17(15,16)10-6-4-9(12)5-7-10/h4-7,14H,8H2,1-3H3
InChIKeyLSFOOVXRAFNDGY-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.22
Rot. Bonds4

About 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide

4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide (PubChem CID 79387236) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
PubChem CID79387236
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
SMILESCN(CC(C)(C)O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO3S/c1-11(2,14)8-13(3)17(15,16)10-6-4-9(12)5-7-10/h4-7,14H,8H2,1-3H3
InChIKeyLSFOOVXRAFNDGY-UHFFFAOYSA-N
XLogP1.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387697
4-fluoro-2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoic acid
CID 102919575
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-propoxybenzenesulfonamide
CID 79386966
2,4,6-trifluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387138
3-fluoro-N-(2-hydroxy-2-methylpropyl)-4-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 107651653
3-amino-4-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 113288382
4-amino-3-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 115330222
N-(2-chloroethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 63396604
4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
CID 130971080
4-chloro-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387779
4-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 75509763
N-(2-hydroxy-2-methylpropyl)-N-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 79386959

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide (CID 79387236) is 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide is CN(CC(C)(C)O)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
The InChIKey is LSFOOVXRAFNDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-11(2,14)8-13(3)17(15,16)10-6-4-9(12)5-7-10/h4-7,14H,8H2,1-3H3.
What are the key properties of 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide?
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 79387236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).