1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide

C15H17F3N4O3S — CID 2813507

IUPAC1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N4O3S/c1-21-10-13(14(19-21)15(16,17)18)26(23,24)20-11-4-2-3-5-12(11)22-6-8-25-9-7-22/h2-5,10,20H,6-9H2,1H3
InChIKeyCBHGBFOMABIMII-UHFFFAOYSA-N
MW390.39 g/mol
LogP2.08
Rot. Bonds4

About 1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide

1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide (PubChem CID 2813507) has the molecular formula C15H17F3N4O3S and a molecular weight of 390.39 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide
PubChem CID2813507
Molecular FormulaC15H17F3N4O3S
Molecular Weight390.39 g/mol
Exact Mass390.10
IUPAC Name1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c(C(F)(F)F)n1
InChIInChI=1S/C15H17F3N4O3S/c1-21-10-13(14(19-21)15(16,17)18)26(23,24)20-11-4-2-3-5-12(11)22-6-8-25-9-7-22/h2-5,10,20H,6-9H2,1H3
InChIKeyCBHGBFOMABIMII-UHFFFAOYSA-N
XLogP2.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperazine
CID 6464253
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
1-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 6465735
1-[1-(Difluoromethyl)-5-methylpyrazol-4-yl]sulfonyl-4-methyl-2,3-dihydroquinoxaline
CID 46382925
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 2813508
1-Ethyl-3-methyl-N-[2-(morpholin-4-YL)-2-phenylethyl]pyrazole-4-sulfonamide
CID 19614785
N-(2-fluoro-6-pyrrolidin-1-ylphenyl)-1-methylpyrazole-4-sulfonamide
CID 72005878
5-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-1-phenylpyrazole-4-sulfonamide
CID 172434057
1-ethyl-N-methyl-N-phenyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 10568620
N-{2-[(3,4-difluorophenyl)(ethyl)amino]ethyl}-1-methyl-1H-pyrazole-4-sulfonamide
CID 71986994
N-(2-fluorophenyl)-1-(oxolan-3-yl)-1H-pyrazole-4-sulfonamide
CID 154841136
N-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)phenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 53492364

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide (CID 2813507) is 1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccccc2N2CCOCC2)c(C(F)(F)F)n1.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide?
The InChIKey is CBHGBFOMABIMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3S/c1-21-10-13(14(19-21)15(16,17)18)26(23,24)20-11-4-2-3-5-12(11)22-6-8-25-9-7-22/h2-5,10,20H,6-9H2,1H3.
What are the key properties of 1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide?
1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide has a molecular weight of 390.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-ylphenyl)-3-(trifluoromethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 2813507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).