N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide

C11H13F2NO3S — CID 115282992

IUPACN-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NCC(F)F)c1
InChIInChI=1S/C11H13F2NO3S/c1-2-10(15)8-4-3-5-9(6-8)18(16,17)14-7-11(12)13/h3-6,11,14H,2,7H2,1H3
InChIKeyODNHFBHAISUKQJ-UHFFFAOYSA-N
MW277.29 g/mol
LogP1.82
Rot. Bonds6

About N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide

N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide (PubChem CID 115282992) has the molecular formula C11H13F2NO3S and a molecular weight of 277.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide
PubChem CID115282992
Molecular FormulaC11H13F2NO3S
Molecular Weight277.29 g/mol
Exact Mass277.06
IUPAC NameN-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide
SMILESCCC(=O)c1cccc(S(=O)(=O)NCC(F)F)c1
InChIInChI=1S/C11H13F2NO3S/c1-2-10(15)8-4-3-5-9(6-8)18(16,17)14-7-11(12)13/h3-6,11,14H,2,7H2,1H3
InChIKeyODNHFBHAISUKQJ-UHFFFAOYSA-N
XLogP1.82
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-difluoro-2-hydroxypropyl)-3-propanoylbenzenesulfonamide
CID 103836741
N-(2-methylbutyl)-3-propanoylbenzenesulfonamide
CID 62691641
3-propanoyl-N-(3,3,3-trifluoro-2-hydroxypropyl)benzenesulfonamide
CID 103833970
N-(2-methylsulfanylpropyl)-3-propanoylbenzenesulfonamide
CID 115756365
4-methyl-2-[[(3-propanoylphenyl)sulfonylamino]methyl]pentanoic acid
CID 120660695
N-[2-(methylsulfamoyl)ethyl]-3-propanoylbenzenesulfonamide
CID 102675948
N-[2-(methylamino)ethyl]-3-propanoylbenzenesulfonamide;hydrochloride
CID 119973412
3-propanoyl-N-(2,2,3-trimethylbutyl)benzenesulfonamide
CID 102609392
N-(3-methylbut-2-enyl)-3-propanoylbenzenesulfonamide
CID 103526960
N-[2-(dimethylamino)ethyl]-3-propanoylbenzenesulfonamide
CID 39384795
3-[(3-propanoylphenyl)sulfonylamino]propanamide
CID 60873632
N-(3-ethylpentan-3-yl)-3-propanoylbenzenesulfonamide
CID 65042545

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide (CID 115282992) is N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide is CCC(=O)c1cccc(S(=O)(=O)NCC(F)F)c1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide?
The InChIKey is ODNHFBHAISUKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3S/c1-2-10(15)8-4-3-5-9(6-8)18(16,17)14-7-11(12)13/h3-6,11,14H,2,7H2,1H3.
What are the key properties of N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide?
N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide has a molecular weight of 277.29 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-propanoylbenzenesulfonamide is sourced from PubChem (CID 115282992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).