N-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide

C7H11F2N3O3S — CID 104858898

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C7H11F2N3O3S/c1-12-6(2-3-10-12)16(14,15)11-4-7(8,9)5-13/h2-3,11,13H,4-5H2,1H3
InChIKeyQDBNFCHECUYIGQ-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.67
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 104858898) has the molecular formula C7H11F2N3O3S and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
PubChem CID104858898
Molecular FormulaC7H11F2N3O3S
Molecular Weight255.25 g/mol
Exact Mass255.05
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C7H11F2N3O3S/c1-12-6(2-3-10-12)16(14,15)11-4-7(8,9)5-13/h2-3,11,13H,4-5H2,1H3
InChIKeyQDBNFCHECUYIGQ-UHFFFAOYSA-N
XLogP-0.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide
CID 132295301
5-(3,3-Difluoroazetidin-1-yl)sulfonyl-1-(methoxymethyl)pyrazole
CID 138006958
1-(trifluoromethyl)-1H-pyrazole-3-sulfonamide
CID 122480583
1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
CID 142588003
1-(2,2,2-trifluoroethyl)-1H-pyrazole-3-sulfonamide
CID 145867445
1-(1,1-Difluoroethyl)pyrazole-3-sulfonamide
CID 146571437
1-(Difluoromethyl)pyrazole-3-sulfonamide
CID 146617555
1-(2,2-difluoroethyl)-1H-pyrazole-3-sulfonamide
CID 153592336
1-(3-hydroxypropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65742846
2-methyl-N-(2,2,2-trifluoroethoxy)pyrazole-3-sulfonamide
CID 104709789
2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
CID 104773006
N-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
CID 104773079

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide (CID 104858898) is N-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is QDBNFCHECUYIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O3S/c1-12-6(2-3-10-12)16(14,15)11-4-7(8,9)5-13/h2-3,11,13H,4-5H2,1H3.
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 255.25 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104858898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).