2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide

C12H11F4N3O2S — CID 71808062

IUPAC2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1ccccc1F
InChIInChI=1S/C12H11F4N3O2S/c13-9-3-1-2-4-10(9)22(20,21)17-6-8-19-7-5-11(18-19)12(14,15)16/h1-5,7,17H,6,8H2
InChIKeyCZQIXVPPYPTJON-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.02
Rot. Bonds5

About 2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide

2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 71808062) has the molecular formula C12H11F4N3O2S and a molecular weight of 337.30 g/mol. Its IUPAC name is 2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
PubChem CID71808062
Molecular FormulaC12H11F4N3O2S
Molecular Weight337.30 g/mol
Exact Mass337.05
IUPAC Name2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1ccccc1F
InChIInChI=1S/C12H11F4N3O2S/c13-9-3-1-2-4-10(9)22(20,21)17-6-8-19-7-5-11(18-19)12(14,15)16/h1-5,7,17H,6,8H2
InChIKeyCZQIXVPPYPTJON-UHFFFAOYSA-N
XLogP2.02
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)propyl)benzenesulfonamide
CID 6499782
N-(3,4-difluorophenyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1508667
1,3-dimethyl-N-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 1508669
1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperazine
CID 6464253
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]benzenesulfonamide
CID 6499781
1-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 6465735
N-(2,4-difluorophenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 16022074
2-fluoro-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 3416873
Benzenesulfonamide, 3-fluoro-4-(1H-pyrazol-1-yl)-
CID 54594288
N-(2,5-difluorophenyl)-4-(1H-pyrazol-1-yl)-1-benzenesulfonamide
CID 6626016
2,5-difluoro-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzenesulfonamide
CID 17376057

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide (CID 71808062) is 2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCn1ccc(C(F)(F)F)n1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is CZQIXVPPYPTJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3O2S/c13-9-3-1-2-4-10(9)22(20,21)17-6-8-19-7-5-11(18-19)12(14,15)16/h1-5,7,17H,6,8H2.
What are the key properties of 2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide?
2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 337.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 71808062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).