N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide

C9H9F4NO3S — CID 113318786

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NCC(O)C(F)F)c1ccc(F)cc1F
InChIInChI=1S/C9H9F4NO3S/c10-5-1-2-8(6(11)3-5)18(16,17)14-4-7(15)9(12)13/h1-3,7,9,14-15H,4H2
InChIKeyYGJZZHXHNRBAJW-UHFFFAOYSA-N
MW287.23 g/mol
LogP0.87
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide

N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide (PubChem CID 113318786) has the molecular formula C9H9F4NO3S and a molecular weight of 287.23 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
PubChem CID113318786
Molecular FormulaC9H9F4NO3S
Molecular Weight287.23 g/mol
Exact Mass287.02
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide
SMILESO=S(=O)(NCC(O)C(F)F)c1ccc(F)cc1F
InChIInChI=1S/C9H9F4NO3S/c10-5-1-2-8(6(11)3-5)18(16,17)14-4-7(15)9(12)13/h1-3,7,9,14-15H,4H2
InChIKeyYGJZZHXHNRBAJW-UHFFFAOYSA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-(2-hydroxybutyl)benzenesulfonamide
CID 5018850
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716
3-[(2,4-difluorophenyl)sulfonylamino]-2-methylpropanethioamide
CID 62665959
N-[(2R)-2-(ethylamino)propyl]-2,4-difluorobenzenesulfonamide
CID 120664782
N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide
CID 66091851
4-chloro-2-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755068
2,4-difluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753831
4-bromo-2-chloro-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 113318776
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835
2,4-difluoro-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 27305807
5-chloro-2-cyano-N-(3,3-difluoro-2-hydroxypropyl)benzenesulfonamide
CID 103836888

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide (CID 113318786) is N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide is O=S(=O)(NCC(O)C(F)F)c1ccc(F)cc1F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide?
The InChIKey is YGJZZHXHNRBAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO3S/c10-5-1-2-8(6(11)3-5)18(16,17)14-4-7(15)9(12)13/h1-3,7,9,14-15H,4H2.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide has a molecular weight of 287.23 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 113318786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).