4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

C14H16F3N3O2S — CID 47090022

IUPAC4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cnn(C)c2)cc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2S/c1-10-3-4-12(7-13(10)14(15,16)17)23(21,22)19-6-5-11-8-18-20(2)9-11/h3-4,7-9,19H,5-6H2,1-2H3
InChIKeyMCOUIZMUBQDYGQ-UHFFFAOYSA-N
MW347.36 g/mol
LogP2.27
Rot. Bonds5

About 4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide

4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 47090022) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID47090022
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC Name4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2cnn(C)c2)cc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2S/c1-10-3-4-12(7-13(10)14(15,16)17)23(21,22)19-6-5-11-8-18-20(2)9-11/h3-4,7-9,19H,5-6H2,1-2H3
InChIKeyMCOUIZMUBQDYGQ-UHFFFAOYSA-N
XLogP2.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide (CID 47090022) is 4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2cnn(C)c2)cc1C(F)(F)F.
What is the InChIKey of 4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is MCOUIZMUBQDYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c1-10-3-4-12(7-13(10)14(15,16)17)23(21,22)19-6-5-11-8-18-20(2)9-11/h3-4,7-9,19H,5-6H2,1-2H3.
What are the key properties of 4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide?
4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 347.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 47090022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).