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

C16H13F3N4O2S — CID 19355252

IUPAC4-[1-methyl-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCn1nc(-c2ccncc2)c(-c2ccc(S(N)(=O)=O)cc2)c1C(F)(F)F
InChIInChI=1S/C16H13F3N4O2S/c1-23-15(16(17,18)19)13(14(22-23)11-6-8-21-9-7-11)10-2-4-12(5-3-10)26(20,24)25/h2-9H,1H3,(H2,20,24,25)
InChIKeyVUXGDYIVDYGIQR-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.82
Rot. Bonds3

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

4-[1-methyl-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 19355252) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is 4-[1-methyl-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-methyl-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID19355252
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC Name4-[1-methyl-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide
SMILESCn1nc(-c2ccncc2)c(-c2ccc(S(N)(=O)=O)cc2)c1C(F)(F)F
InChIInChI=1S/C16H13F3N4O2S/c1-23-15(16(17,18)19)13(14(22-23)11-6-8-21-9-7-11)10-2-4-12(5-3-10)26(20,24)25/h2-9H,1H3,(H2,20,24,25)
InChIKeyVUXGDYIVDYGIQR-UHFFFAOYSA-N
XLogP2.82
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 4-[1-methyl-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide (CID 19355252) is 4-[1-methyl-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-methyl-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-methyl-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide is Cn1nc(-c2ccncc2)c(-c2ccc(S(N)(=O)=O)cc2)c1C(F)(F)F.
What is the InChIKey of 4-[1-methyl-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is VUXGDYIVDYGIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c1-23-15(16(17,18)19)13(14(22-23)11-6-8-21-9-7-11)10-2-4-12(5-3-10)26(20,24)25/h2-9H,1H3,(H2,20,24,25).
What are the key properties of 4-[1-methyl-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide?
4-[1-methyl-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 382.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 19355252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).