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

C11H10F3N3O2S — CID 62050076

IUPACN-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccccc1C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C11H10F3N3O2S/c12-11(13,14)10-4-2-1-3-8(10)5-17-20(18,19)9-6-15-16-7-9/h1-4,6-7,17H,5H2,(H,15,16)
InChIKeyCUCSXYSDOGZIOJ-UHFFFAOYSA-N
MW305.28 g/mol
LogP1.91
Rot. Bonds4

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

N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 62050076) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
PubChem CID62050076
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCc1ccccc1C(F)(F)F)c1cn[nH]c1
InChIInChI=1S/C11H10F3N3O2S/c12-11(13,14)10-4-2-1-3-8(10)5-17-20(18,19)9-6-15-16-7-9/h1-4,6-7,17H,5H2,(H,15,16)
InChIKeyCUCSXYSDOGZIOJ-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

N-[(2-chlorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 54934551
N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
CID 54936966
3,5-bis(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3552945
N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 54897524
N-[(2,5-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 63373518
N-[(2,4-difluorophenyl)methyl]-1H-pyrazole-4-sulfonamide
CID 62050435
4-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3792229
2-bromo-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3855876
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
CID 114701597
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-5-sulfonamide
CID 62880621
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 35764474
N-(1H-pyrrol-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 106385116

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide (CID 62050076) is N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NCc1ccccc1C(F)(F)F)c1cn[nH]c1.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is CUCSXYSDOGZIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c12-11(13,14)10-4-2-1-3-8(10)5-17-20(18,19)9-6-15-16-7-9/h1-4,6-7,17H,5H2,(H,15,16).
What are the key properties of N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide?
N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide 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-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 62050076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).