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

C7H11F2N3O3S — CID 104773079

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C7H11F2N3O3S/c1-12-6(2-3-10-12)16(14,15)11-4-5(13)7(8)9/h2-3,5,7,11,13H,4H2,1H3
InChIKeyZYRASZLGJKDDNU-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.68
Rot. Bonds5

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

N-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide (PubChem CID 104773079) has the molecular formula C7H11F2N3O3S and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
PubChem CID104773079
Molecular FormulaC7H11F2N3O3S
Molecular Weight255.25 g/mol
Exact Mass255.05
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)NCC(O)C(F)F
InChIInChI=1S/C7H11F2N3O3S/c1-12-6(2-3-10-12)16(14,15)11-4-5(13)7(8)9/h2-3,5,7,11,13H,4H2,1H3
InChIKeyZYRASZLGJKDDNU-UHFFFAOYSA-N
XLogP-0.68
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 ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide 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-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide
CID 132295301
1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrazole-3-sulfonamide
CID 142588003
N,2-dimethyl-N-[(E)-3-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethylamino]prop-1-enyl]pyrazole-3-sulfonamide;molecular hydrogen
CID 144872973
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide
CID 103833956
N-(3,3-difluoro-2-hydroxypropyl)-1-methylpyrazole-4-sulfonamide
CID 103836727
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-(2,2-difluoro-3-hydroxypropyl)-2-methylpyrazole-3-sulfonamide
CID 104858898
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methylpyrazole-3-sulfonamide
CID 107493838
N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
CID 107493924
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-methylpyrazole-3-sulfonamide
CID 113964816
N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
CID 113964839

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide (CID 104773079) is N-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is ZYRASZLGJKDDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O3S/c1-12-6(2-3-10-12)16(14,15)11-4-5(13)7(8)9/h2-3,5,7,11,13H,4H2,1H3.
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 255.25 g/mol, XLogP of -0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 104773079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).