4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

C11H10F3N3O3S — CID 10403773

IUPAC4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H10F3N3O3S/c1-20-10-6-9(11(12,13)14)16-17(10)7-2-4-8(5-3-7)21(15,18)19/h2-6H,1H3,(H2,15,18,19)
InChIKeyNICNWSHSMDLZMA-UHFFFAOYSA-N
MW321.28 g/mol
LogP1.55
Rot. Bonds3

About 4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 10403773) has the molecular formula C11H10F3N3O3S and a molecular weight of 321.28 g/mol. Its IUPAC name is 4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID10403773
Molecular FormulaC11H10F3N3O3S
Molecular Weight321.28 g/mol
Exact Mass321.04
IUPAC Name4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H10F3N3O3S/c1-20-10-6-9(11(12,13)14)16-17(10)7-2-4-8(5-3-7)21(15,18)19/h2-6H,1H3,(H2,15,18,19)
InChIKeyNICNWSHSMDLZMA-UHFFFAOYSA-N
XLogP1.55
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 10403773) is 4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is COc1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is NICNWSHSMDLZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3S/c1-20-10-6-9(11(12,13)14)16-17(10)7-2-4-8(5-3-7)21(15,18)19/h2-6H,1H3,(H2,15,18,19).
What are the key properties of 4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 321.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10403773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).