N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide

C10H9F2N3O4S2 — CID 61274213

IUPACN-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1S(=O)(=O)C(F)F)c1cn[nH]c1
InChIInChI=1S/C10H9F2N3O4S2/c11-10(12)20(16,17)9-4-2-1-3-8(9)15-21(18,19)7-5-13-14-6-7/h1-6,10,15H,(H,13,14)
InChIKeyQWTQABQYYIJZFS-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.21
Rot. Bonds5

About N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide

N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61274213) has the molecular formula C10H9F2N3O4S2 and a molecular weight of 337.33 g/mol. Its IUPAC name is N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID61274213
Molecular FormulaC10H9F2N3O4S2
Molecular Weight337.33 g/mol
Exact Mass337.00
IUPAC NameN-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1S(=O)(=O)C(F)F)c1cn[nH]c1
InChIInChI=1S/C10H9F2N3O4S2/c11-10(12)20(16,17)9-4-2-1-3-8(9)15-21(18,19)7-5-13-14-6-7/h1-6,10,15H,(H,13,14)
InChIKeyQWTQABQYYIJZFS-UHFFFAOYSA-N
XLogP1.21
TPSA108.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 60917040
N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936966
N-(2-propylphenyl)-1H-pyrazole-4-sulfonamide
CID 47364001
N-[2-[1-(propylamino)ethyl]phenyl]-1H-pyrazole-4-sulfonamide
CID 60917157
N-(2-cyano-3-fluorophenyl)-1H-pyrazole-4-sulfonamide
CID 60916235
N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54929740
N-(2-pyrazol-1-yl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 61275577
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
N-(3,4-dichloro-1H-indol-7-yl)-1H-pyrazole-4-sulfonamide
CID 155193461
N-(2-chloro-4-iodophenyl)-1H-pyrazole-4-sulfonamide
CID 47364015
N-(2-bromo-5-chlorophenyl)-1H-pyrazole-4-sulfonamide
CID 81274575
N-(5-chloro-2-hydroxyphenyl)-1H-pyrazole-4-sulfonamide
CID 54937402

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide (CID 61274213) is N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1ccccc1S(=O)(=O)C(F)F)c1cn[nH]c1.
What is the InChIKey of N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is QWTQABQYYIJZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O4S2/c11-10(12)20(16,17)9-4-2-1-3-8(9)15-21(18,19)7-5-13-14-6-7/h1-6,10,15H,(H,13,14).
What are the key properties of N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide?
N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 337.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethylsulfonyl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61274213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).