N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide

C14H20FNO3S — CID 107327564

IUPACN-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C14H20FNO3S/c1-10-8-12(15)9-11(2)14(10)20(18,19)16(6-7-17)13-4-3-5-13/h8-9,13,17H,3-7H2,1-2H3
InChIKeyXEWNMOAOJIKPKA-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.98
Rot. Bonds5

About N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide

N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 107327564) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
PubChem CID107327564
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)N(CCO)C1CCC1
InChIInChI=1S/C14H20FNO3S/c1-10-8-12(15)9-11(2)14(10)20(18,19)16(6-7-17)13-4-3-5-13/h8-9,13,17H,3-7H2,1-2H3
InChIKeyXEWNMOAOJIKPKA-UHFFFAOYSA-N
XLogP1.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 79588511
N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 43577627
4-amino-N-cyclobutyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859183
N-cycloheptyl-4-fluoro-N,2,6-trimethylbenzenesulfonamide
CID 107326759
N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675891
N-cyclopropyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577670
N-(2-aminoethyl)-N-cyclobutyl-2,4,6-trifluorobenzenesulfonamide
CID 102874463
2-amino-N-cyclobutyl-6-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859154
N-(2,2-difluoroethyl)-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107479241
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide
CID 43577516
N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577623
5-[cyclopentyl(2-hydroxyethyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 60950437

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide (CID 107327564) is N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is XEWNMOAOJIKPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-10-8-12(15)9-11(2)14(10)20(18,19)16(6-7-17)13-4-3-5-13/h8-9,13,17H,3-7H2,1-2H3.
What are the key properties of N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide?
N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 301.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107327564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).