2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C16H13F3N4O3S — CID 11567472

IUPAC2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cc1CO
InChIInChI=1S/C16H13F3N4O3S/c17-16(18,19)15-7-13(10-2-1-5-21-8-10)23(22-15)12-3-4-14(27(20,25)26)11(6-12)9-24/h1-8,24H,9H2,(H2,20,25,26)
InChIKeyUEGBPJXHBKTNDY-UHFFFAOYSA-N
MW398.37 g/mol
LogP2.09
Rot. Bonds4

About 2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 11567472) has the molecular formula C16H13F3N4O3S and a molecular weight of 398.37 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID11567472
Molecular FormulaC16H13F3N4O3S
Molecular Weight398.37 g/mol
Exact Mass398.07
IUPAC Name2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cc1CO
InChIInChI=1S/C16H13F3N4O3S/c17-16(18,19)15-7-13(10-2-1-5-21-8-10)23(22-15)12-3-4-14(27(20,25)26)11(6-12)9-24/h1-8,24H,9H2,(H2,20,25,26)
InChIKeyUEGBPJXHBKTNDY-UHFFFAOYSA-N
XLogP2.09
TPSA111.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10021928
4-[5-pyrazin-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315585
4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 10096122
[2-aminosulfanyl-5-[5-(3,4-dimethylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanol
CID 142025380
4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315448
4-[5-(4-hydroxy-3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 135848006
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide;4-pyridin-4-ylpyridine
CID 139199315
[5-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylphenyl]methanamine;hydrochloride
CID 22316908
bis(4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide);bis(4-(2-pyridin-4-ylethyl)pyridine)
CID 139199317
2-[5-[4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 22313838
4-[5-[3-ethyl-4-(1,3-thiazol-4-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-fluorobenzenesulfonamide
CID 22316830
ethyl 1-[3-fluoro-4-(trifluoromethyl)phenyl]-5-pyridin-3-ylpyrazole-3-carboxylate
CID 118209253

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 11567472) is 2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccnc2)cc1CO.
What is the InChIKey of 2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is UEGBPJXHBKTNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O3S/c17-16(18,19)15-7-13(10-2-1-5-21-8-10)23(22-15)12-3-4-14(27(20,25)26)11(6-12)9-24/h1-8,24H,9H2,(H2,20,25,26).
What are the key properties of 2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 398.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-[5-pyridin-3-yl-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 11567472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).