4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide

C17H16FN3O2S — CID 56708749

IUPAC4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide
SMILESCc1cc(C)n(-c2cccc(-c3ccc(S(N)(=O)=O)cc3F)c2)n1
InChIInChI=1S/C17H16FN3O2S/c1-11-8-12(2)21(20-11)14-5-3-4-13(9-14)16-7-6-15(10-17(16)18)24(19,22)23/h3-10H,1-2H3,(H2,19,22,23)
InChIKeyUWIYRTYODLDNAX-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.94
Rot. Bonds3

About 4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide

4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide (PubChem CID 56708749) has the molecular formula C17H16FN3O2S and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide
PubChem CID56708749
Molecular FormulaC17H16FN3O2S
Molecular Weight345.40 g/mol
Exact Mass345.09
IUPAC Name4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide
SMILESCc1cc(C)n(-c2cccc(-c3ccc(S(N)(=O)=O)cc3F)c2)n1
InChIInChI=1S/C17H16FN3O2S/c1-11-8-12(2)21(20-11)14-5-3-4-13(9-14)16-7-6-15(10-17(16)18)24(19,22)23/h3-10H,1-2H3,(H2,19,22,23)
InChIKeyUWIYRTYODLDNAX-UHFFFAOYSA-N
XLogP2.94
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide (CID 56708749) is 4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide is Cc1cc(C)n(-c2cccc(-c3ccc(S(N)(=O)=O)cc3F)c2)n1.
What is the InChIKey of 4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is UWIYRTYODLDNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O2S/c1-11-8-12(2)21(20-11)14-5-3-4-13(9-14)16-7-6-15(10-17(16)18)24(19,22)23/h3-10H,1-2H3,(H2,19,22,23).
What are the key properties of 4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide?
4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 345.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 56708749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).