N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

C11H10F3N3O2S — CID 61003414

IUPACN-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cn[nH]c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3O2S/c12-11(13,14)9-2-1-3-10(4-9)20(18,19)17-7-8-5-15-16-6-8/h1-6,17H,7H2,(H,15,16)
InChIKeyHTKREYQVDNPLAG-UHFFFAOYSA-N
MW305.28 g/mol
LogP1.91
Rot. Bonds4

About N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide

N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 61003414) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID61003414
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cn[nH]c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H10F3N3O2S/c12-11(13,14)9-2-1-3-10(4-9)20(18,19)17-7-8-5-15-16-6-8/h1-6,17H,7H2,(H,15,16)
InChIKeyHTKREYQVDNPLAG-UHFFFAOYSA-N
XLogP1.91
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Amino-1-[3-(trifluoromethyl)phenyl]sulfonylpyrazole-4-carbonitrile
CID 172437274
3-cyano-N-(1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 43532756
4-Methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 14361422
Pyrazole benzenesulfonamide
CID 18676099
Pyrazolium tosylate
CID 129736735
5-methylsulfanyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole
CID 67796063
4-[5-(difluoromethyl)-1H-pyrazol-4-yl]benzenesulfonamide
CID 142636924
N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide
CID 165103279
5-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazole
CID 174313100
4-fluoro-5-[2-fluoro-3-(2-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole
CID 174313543
4-fluoro-5-[3-fluoro-3-(3-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole
CID 174314572
4-fluoro-5-[2-fluoro-3-(4-fluorophenyl)prop-2-enyl]sulfonyl-1H-pyrazole
CID 174327817

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 61003414) is N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1cn[nH]c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HTKREYQVDNPLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c12-11(13,14)9-2-1-3-10(4-9)20(18,19)17-7-8-5-15-16-6-8/h1-6,17H,7H2,(H,15,16).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 305.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 61003414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).