N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide

C11H10F3N3O2S2 — CID 102691731

IUPACN-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1SCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C11H10F3N3O2S2/c12-11(13,14)7-20-9-4-2-1-3-8(9)17-21(18,19)10-5-6-15-16-10/h1-6,17H,7H2,(H,15,16)
InChIKeyARZFGCWKPPCLRM-UHFFFAOYSA-N
MW337.35 g/mol
LogP2.86
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide

N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102691731) has the molecular formula C11H10F3N3O2S2 and a molecular weight of 337.35 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide
PubChem CID102691731
Molecular FormulaC11H10F3N3O2S2
Molecular Weight337.35 g/mol
Exact Mass337.02
IUPAC NameN-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1SCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C11H10F3N3O2S2/c12-11(13,14)7-20-9-4-2-1-3-8(9)17-21(18,19)10-5-6-15-16-10/h1-6,17H,7H2,(H,15,16)
InChIKeyARZFGCWKPPCLRM-UHFFFAOYSA-N
XLogP2.86
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(sulfamoylamino)-2-(2,2,2-trifluoroethylsulfanyl)benzene
CID 112573492
N-(2-fluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691575
1-N-methyl-4-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzene-1,4-disulfonamide
CID 46635998
4-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzenesulfonamide
CID 16615645
N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691585
1-methyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]pyrazole-4-sulfonamide
CID 55647338
2-[[2-(2,2,2-trifluoroethylsulfanyl)phenyl]sulfamoyl]acetic acid
CID 43361756
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 16615646
3-oxo-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-4H-1,4-benzoxazine-6-sulfonamide
CID 16621028
N-(3-fluoro-4-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 107595249
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63091072
N-(2-pyrrolidin-1-ylphenyl)-1H-pyrazole-5-sulfonamide
CID 102692559

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide (CID 102691731) is N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1ccccc1SCC(F)(F)F)c1ccn[nH]1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is ARZFGCWKPPCLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S2/c12-11(13,14)7-20-9-4-2-1-3-8(9)17-21(18,19)10-5-6-15-16-10/h1-6,17H,7H2,(H,15,16).
What are the key properties of N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide?
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 337.35 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).