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

C11H13F2NO3S — CID 43577623

IUPACN-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(F)ccc1F)N(CCO)C1CC1
InChIInChI=1S/C11H13F2NO3S/c12-8-1-4-10(13)11(7-8)18(16,17)14(5-6-15)9-2-3-9/h1,4,7,9,15H,2-3,5-6H2
InChIKeyYONAYMYDXDMEIY-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.11
Rot. Bonds5

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

N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 43577623) has the molecular formula C11H13F2NO3S and a molecular weight of 277.29 g/mol. Its IUPAC name is N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID43577623
Molecular FormulaC11H13F2NO3S
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC NameN-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(c1cc(F)ccc1F)N(CCO)C1CC1
InChIInChI=1S/C11H13F2NO3S/c12-8-1-4-10(13)11(7-8)18(16,17)14(5-6-15)9-2-3-9/h1,4,7,9,15H,2-3,5-6H2
InChIKeyYONAYMYDXDMEIY-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675891
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzenesulfonamide
CID 43577516
N-cyclopropyl-4-fluoro-N-(2-hydroxyethyl)-2-methylbenzenesulfonamide
CID 43577627
N-cyclopropyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577535
3-[cyclobutyl(2-hydroxyethyl)sulfamoyl]-4-fluorobenzoic acid
CID 102861058
N-(2-bromoethyl)-N-cyclohexyl-2,5-difluorobenzenesulfonamide
CID 80669895
N-cyclohexyl-N-ethyl-2,5-difluorobenzenesulfonamide
CID 60516548
N-cyclopropyl-2,6-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 43577670
N-(2-bromoethyl)-N-cyclopropyl-2,4-difluorobenzenesulfonamide
CID 80667040
4-bromo-N-cyclobutyl-2-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675823
N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806262
N-cyclopropyl-2-fluoro-5-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 79014588

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide (CID 43577623) is N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(c1cc(F)ccc1F)N(CCO)C1CC1.
What is the InChIKey of N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is YONAYMYDXDMEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3S/c12-8-1-4-10(13)11(7-8)18(16,17)14(5-6-15)9-2-3-9/h1,4,7,9,15H,2-3,5-6H2.
What are the key properties of N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide?
N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 277.29 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,5-difluoro-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43577623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).