N-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide

C17H14F3N3O2S — CID 102430856

IUPACN-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(-n2cccn2)c1
InChIInChI=1S/C17H14F3N3O2S/c1-12-3-8-15(16(11-12)23-10-2-9-21-23)22-26(24,25)14-6-4-13(5-7-14)17(18,19)20/h2-11,22H,1H3
InChIKeyMVULYCFQVNQOEA-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.00
Rot. Bonds4

About N-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide

N-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 102430856) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is N-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID102430856
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC NameN-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(-n2cccn2)c1
InChIInChI=1S/C17H14F3N3O2S/c1-12-3-8-15(16(11-12)23-10-2-9-21-23)22-26(24,25)14-6-4-13(5-7-14)17(18,19)20/h2-11,22H,1H3
InChIKeyMVULYCFQVNQOEA-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide (CID 102430856) is N-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(-n2cccn2)c1.
What is the InChIKey of N-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MVULYCFQVNQOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-12-3-8-15(16(11-12)23-10-2-9-21-23)22-26(24,25)14-6-4-13(5-7-14)17(18,19)20/h2-11,22H,1H3.
What are the key properties of N-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 381.38 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyrazol-1-ylphenyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 102430856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).