N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide

C12H15F2NO3S — CID 90499360

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1cc(F)ccc1F)C1CC1
InChIInChI=1S/C12H15F2NO3S/c1-12(16,8-2-3-8)7-15-19(17,18)11-6-9(13)4-5-10(11)14/h4-6,8,15-16H,2-3,7H2,1H3
InChIKeyFHTTWANYZTZKCD-UHFFFAOYSA-N
MW291.32 g/mol
LogP1.40
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide

N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide (PubChem CID 90499360) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide
PubChem CID90499360
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide
SMILESCC(O)(CNS(=O)(=O)c1cc(F)ccc1F)C1CC1
InChIInChI=1S/C12H15F2NO3S/c1-12(16,8-2-3-8)7-15-19(17,18)11-6-9(13)4-5-10(11)14/h4-6,8,15-16H,2-3,7H2,1H3
InChIKeyFHTTWANYZTZKCD-UHFFFAOYSA-N
XLogP1.40
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 90499351
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 52992777
N-[(2R)-2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-2,5-difluorobenzenesulfonamide
CID 95982384
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-(4-fluorophenyl)methanesulfonamide
CID 52907137
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,5-difluorobenzenesulfonamide
CID 9236304
N-(2-cyclopropyl-2-hydroxypropyl)benzenesulfonamide
CID 90499346
4-bromo-N-[(2S)-2-cyclopropyl-2-hydroxypropyl]benzenesulfonamide
CID 94909084
N-(5-bromo-2,2-dimethylpentyl)-2,5-difluorobenzenesulfonamide
CID 106146364
1-(4-chlorophenyl)-N-(2-cyclopropyl-2-hydroxypropyl)methanesulfonamide
CID 90499382
N-(2-cyclopropyl-2-hydroxypropyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 90499413
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
N-tert-butyl-2,5-difluorobenzenesulfonamide
CID 17375863

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide (CID 90499360) is N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide is CC(O)(CNS(=O)(=O)c1cc(F)ccc1F)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide?
The InChIKey is FHTTWANYZTZKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c1-12(16,8-2-3-8)7-15-19(17,18)11-6-9(13)4-5-10(11)14/h4-6,8,15-16H,2-3,7H2,1H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide?
N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide has a molecular weight of 291.32 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 90499360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).