N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide

C11H10F3N3O2S — CID 165103279

IUPACN-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1cc(CC(F)(F)F)cn1)c1ccccc1
InChIInChI=1S/C11H10F3N3O2S/c12-11(13,14)6-9-7-15-17(8-9)16-20(18,19)10-4-2-1-3-5-10/h1-5,7-8,16H,6H2
InChIKeyYRWAETKYLSRILJ-UHFFFAOYSA-N
MW305.28 g/mol
LogP1.92
Rot. Bonds4

About N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide

N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 165103279) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID165103279
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC NameN-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1cc(CC(F)(F)F)cn1)c1ccccc1
InChIInChI=1S/C11H10F3N3O2S/c12-11(13,14)6-9-7-15-17(8-9)16-20(18,19)10-4-2-1-3-5-10/h1-5,7-8,16H,6H2
InChIKeyYRWAETKYLSRILJ-UHFFFAOYSA-N
XLogP1.92
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Tosylpyrozole
CID 320750
4-chloro-1-[(4-fluorophenyl)sulfonyl]-1H-pyrazole
CID 1225527
1-Benzenesulfonylpyrazole
CID 588934
4-chloro-1-[(3,4-difluorophenyl)sulfonyl]-1H-pyrazole
CID 6467817
4-chloro-1-[(2,5-difluorophenyl)sulfonyl]-1H-pyrazole
CID 6470354
4-iodo-1-tosyl-1H-pyrazole
CID 14041590
1-[(4-fluorophenyl)sulfonyl]-1H-pyrazole
CID 4657111
4-Methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 14361422
1h-Pyrazol-1-yl benzenesulfonamide
CID 22315462
N-[5-(4-fluorophenyl)-4-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67647702
N-(4-fluoro-5-phenylpyrazol-1-yl)benzenesulfonamide
CID 67662243
N-[4-phenyl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 67664264

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide (CID 165103279) is N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1cc(CC(F)(F)F)cn1)c1ccccc1.
What is the InChIKey of N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is YRWAETKYLSRILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c12-11(13,14)6-9-7-15-17(8-9)16-20(18,19)10-4-2-1-3-5-10/h1-5,7-8,16H,6H2.
What are the key properties of N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide?
N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 305.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 165103279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).