N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide

C7H11F2N3O3S — CID 115409012

IUPACN-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NCC(F)F)c1CO
InChIInChI=1S/C7H11F2N3O3S/c1-4-5(3-13)7(12-11-4)16(14,15)10-2-6(8)9/h6,10,13H,2-3H2,1H3,(H,11,12)
InChIKeyGDWXFRBERMSAAG-UHFFFAOYSA-N
MW255.25 g/mol
LogP-0.25
Rot. Bonds5

About N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide

N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide (PubChem CID 115409012) has the molecular formula C7H11F2N3O3S and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
PubChem CID115409012
Molecular FormulaC7H11F2N3O3S
Molecular Weight255.25 g/mol
Exact Mass255.05
IUPAC NameN-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
SMILESCc1[nH]nc(S(=O)(=O)NCC(F)F)c1CO
InChIInChI=1S/C7H11F2N3O3S/c1-4-5(3-13)7(12-11-4)16(14,15)10-2-6(8)9/h6,10,13H,2-3H2,1H3,(H,11,12)
InChIKeyGDWXFRBERMSAAG-UHFFFAOYSA-N
XLogP-0.25
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-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)-5-methyl-4-[(propan-2-ylamino)methyl]-1H-pyrazole-3-sulfonamide
CID 115409187
N-(2-ethoxypropyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 114135418
N-(2-ethylhexyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 107818649
4-(hydroxymethyl)-5-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-1H-pyrazole-3-sulfonamide
CID 106001618
N-(2-cyclopropylpropan-2-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106001191
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106044354
N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106001915
4-(hydroxymethyl)-5-methyl-N-(3-methylsulfanylcyclohexyl)-1H-pyrazole-3-sulfonamide
CID 106001245
4-(aminomethyl)-5-methyl-N-(7-methyloctyl)-1H-pyrazole-3-sulfonamide
CID 107818690
5-methyl-N-(3-methylbutyl)-4-(propylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106059200
4-(ethylaminomethyl)-5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-3-sulfonamide
CID 106029941
[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-5-methyl-1H-pyrazol-4-yl]methanol
CID 115562747

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide (CID 115409012) is N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide is Cc1[nH]nc(S(=O)(=O)NCC(F)F)c1CO.
What is the InChIKey of N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
The InChIKey is GDWXFRBERMSAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O3S/c1-4-5(3-13)7(12-11-4)16(14,15)10-2-6(8)9/h6,10,13H,2-3H2,1H3,(H,11,12).
What are the key properties of N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide?
N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide has a molecular weight of 255.25 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-4-(hydroxymethyl)-5-methyl-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 115409012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).