N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide

C12H15F2NO3S — CID 102675891

IUPACN-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(F)ccc1F)N(CCO)C1CCC1
InChIInChI=1S/C12H15F2NO3S/c13-9-4-5-11(14)12(8-9)19(17,18)15(6-7-16)10-2-1-3-10/h4-5,8,10,16H,1-3,6-7H2
InChIKeyCALZQGXGTOEORE-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.50
Rot. Bonds5

About N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide

N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 102675891) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID102675891
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC NameN-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(F)ccc1F)N(CCO)C1CCC1
InChIInChI=1S/C12H15F2NO3S/c13-9-4-5-11(14)12(8-9)19(17,18)15(6-7-16)10-2-1-3-10/h4-5,8,10,16H,1-3,6-7H2
InChIKeyCALZQGXGTOEORE-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577623
3-[cyclobutyl(2-hydroxyethyl)sulfamoyl]-4-fluorobenzoic acid
CID 102861058
N-(2-bromoethyl)-N-cyclohexyl-2,5-difluorobenzenesulfonamide
CID 80669895
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide
CID 43577516
N-cyclohexyl-N-ethyl-2,5-difluorobenzenesulfonamide
CID 60516548
N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 43577627
4-bromo-N-cyclobutyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675823
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577535
2-amino-5-chloro-N-cyclobutyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 102859200
3-amino-N-cyclopentyl-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 61140188
5-amino-N-cyclopentyl-2,3-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 65020823
2-(aminomethyl)-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102861412

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 102675891) is N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1cc(F)ccc1F)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is CALZQGXGTOEORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c13-9-4-5-11(14)12(8-9)19(17,18)15(6-7-16)10-2-1-3-10/h4-5,8,10,16H,1-3,6-7H2.
What are the key properties of N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 291.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 102675891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).