3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C14H16F3N3O2S — CID 166213875

IUPAC3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C)nn(C)c2C)ccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2S/c1-8-7-11(5-6-12(8)14(15,16)17)23(21,22)19-13-9(2)18-20(4)10(13)3/h5-7,19H,1-4H3
InChIKeyJHXPUNXYFLUUQI-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.16
Rot. Bonds3

About 3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 166213875) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is 3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID166213875
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC Name3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2c(C)nn(C)c2C)ccc1C(F)(F)F
InChIInChI=1S/C14H16F3N3O2S/c1-8-7-11(5-6-12(8)14(15,16)17)23(21,22)19-13-9(2)18-20(4)10(13)3/h5-7,19H,1-4H3
InChIKeyJHXPUNXYFLUUQI-UHFFFAOYSA-N
XLogP3.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(trifluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3346091
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725
N-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 17426352
3-N-(1,3,5-trimethylpyrazol-4-yl)benzene-1,3-disulfonamide
CID 18292001
2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-sulfonamide
CID 61053156
N-[4-bromo-3-(trifluoromethyl)phenyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823248
2-methyl-4-methylsulfonyl-1-(trifluoromethyl)benzene
CID 162551925
4-bromo-2-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 58561076
N-[2-methoxy-5-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]phenyl]acetamide
CID 7536008
(3S)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide
CID 9330069
(3R)-3-methyl-2-oxo-N-(1,3,5-trimethylpyrazol-4-yl)-1,3-dihydroindole-5-sulfonamide
CID 9330071
4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3164045

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 166213875) is 3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2c(C)nn(C)c2C)ccc1C(F)(F)F.
What is the InChIKey of 3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is JHXPUNXYFLUUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c1-8-7-11(5-6-12(8)14(15,16)17)23(21,22)19-13-9(2)18-20(4)10(13)3/h5-7,19H,1-4H3.
What are the key properties of 3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 347.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(trifluoromethyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 166213875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).