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

C17H14F3N3O2S — CID 67645514

IUPACN-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H14F3N3O2S/c1-23-15(17(18,19)20)14(12-8-4-2-5-9-12)16(21-23)22-26(24,25)13-10-6-3-7-11-13/h2-11H,1H3,(H,21,22)
InChIKeyOSOKLVGLMGKFAS-UHFFFAOYSA-N
MW381.38 g/mol
LogP3.91
Rot. Bonds4

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

N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 67645514) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID67645514
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC NameN-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
SMILESCn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H14F3N3O2S/c1-23-15(17(18,19)20)14(12-8-4-2-5-9-12)16(21-23)22-26(24,25)13-10-6-3-7-11-13/h2-11H,1H3,(H,21,22)
InChIKeyOSOKLVGLMGKFAS-UHFFFAOYSA-N
XLogP3.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide (CID 67645514) is N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is Cn1nc(NS(=O)(=O)c2ccccc2)c(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is OSOKLVGLMGKFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-23-15(17(18,19)20)14(12-8-4-2-5-9-12)16(21-23)22-26(24,25)13-10-6-3-7-11-13/h2-11H,1H3,(H,21,22).
What are the key properties of N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide?
N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 381.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67645514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).