N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide

C6H9F2N3O3S — CID 104858821

IUPACN-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC(F)(F)CO)c1cn[nH]c1
InChIInChI=1S/C6H9F2N3O3S/c7-6(8,4-12)3-11-15(13,14)5-1-9-10-2-5/h1-2,11-12H,3-4H2,(H,9,10)
InChIKeyQBBHXAMCPSJBPG-UHFFFAOYSA-N
MW241.22 g/mol
LogP-0.68
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide

N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide (PubChem CID 104858821) has the molecular formula C6H9F2N3O3S and a molecular weight of 241.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide
PubChem CID104858821
Molecular FormulaC6H9F2N3O3S
Molecular Weight241.22 g/mol
Exact Mass241.03
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC(F)(F)CO)c1cn[nH]c1
InChIInChI=1S/C6H9F2N3O3S/c7-6(8,4-12)3-11-15(13,14)5-1-9-10-2-5/h1-2,11-12H,3-4H2,(H,9,10)
InChIKeyQBBHXAMCPSJBPG-UHFFFAOYSA-N
XLogP-0.68
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydroxy-2-methylpropyl)-1H-pyrazole-4-sulfonamide
CID 66171038
N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-pyrazole-4-sulfonamide
CID 113334733
N,2,2-trimethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide
CID 103824132
N-[2-(methanesulfonamido)-2-methylpropyl]-1H-pyrazole-4-sulfonamide
CID 63859195
N-(5-hydroxy-2,2-dimethylpentyl)-1H-pyrazole-4-sulfonamide
CID 113347933
N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 104858661
N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 62050076
6-cyano-N-(2,2-difluoro-3-hydroxypropyl)pyridine-3-sulfonamide
CID 113462897
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570
N-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 54903977
N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
CID 106126673
N-(2,2-difluoro-3-hydroxypropyl)-3-fluorobenzenesulfonamide
CID 104858703

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide (CID 104858821) is N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide is O=S(=O)(NCC(F)(F)CO)c1cn[nH]c1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is QBBHXAMCPSJBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O3S/c7-6(8,4-12)3-11-15(13,14)5-1-9-10-2-5/h1-2,11-12H,3-4H2,(H,9,10).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide?
N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 241.22 g/mol, XLogP of -0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 104858821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).