N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide

C9H10F3NO3S — CID 104858703

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)CO)c1cccc(F)c1
InChIInChI=1S/C9H10F3NO3S/c10-7-2-1-3-8(4-7)17(15,16)13-5-9(11,12)6-14/h1-4,13-14H,5-6H2
InChIKeyQDEZFOOUDJJODI-UHFFFAOYSA-N
MW269.24 g/mol
LogP0.73
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide (PubChem CID 104858703) has the molecular formula C9H10F3NO3S and a molecular weight of 269.24 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide
PubChem CID104858703
Molecular FormulaC9H10F3NO3S
Molecular Weight269.24 g/mol
Exact Mass269.03
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)CO)c1cccc(F)c1
InChIInChI=1S/C9H10F3NO3S/c10-7-2-1-3-8(4-7)17(15,16)13-5-9(11,12)6-14/h1-4,13-14H,5-6H2
InChIKeyQDEZFOOUDJJODI-UHFFFAOYSA-N
XLogP0.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 104858661
3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103834023
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-methylbenzenesulfonamide
CID 106165658
3-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzenesulfonamide
CID 66179000
N-(4-bromo-2,2-dimethylbutyl)-3-fluorobenzenesulfonamide
CID 114149778
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168637
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-iodobenzoic acid
CID 106168555
3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 104858845
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide (CID 104858703) is N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide is O=S(=O)(NCC(F)(F)CO)c1cccc(F)c1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide?
The InChIKey is QDEZFOOUDJJODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3S/c10-7-2-1-3-8(4-7)17(15,16)13-5-9(11,12)6-14/h1-4,13-14H,5-6H2.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide has a molecular weight of 269.24 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 104858703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).