3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide

C17H14F3N3O2S — CID 42283326

IUPAC3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O2S/c1-12-16(11-23(21-12)15-8-3-2-4-9-15)26(24,25)22-14-7-5-6-13(10-14)17(18,19)20/h2-11,22H,1H3
InChIKeyGYSHBWNGTBMMMM-UHFFFAOYSA-N
MW381.38 g/mol
LogP4.00
Rot. Bonds4

About 3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide

3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide (PubChem CID 42283326) has the molecular formula C17H14F3N3O2S and a molecular weight of 381.38 g/mol. Its IUPAC name is 3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
PubChem CID42283326
Molecular FormulaC17H14F3N3O2S
Molecular Weight381.38 g/mol
Exact Mass381.08
IUPAC Name3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14F3N3O2S/c1-12-16(11-23(21-12)15-8-3-2-4-9-15)26(24,25)22-14-7-5-6-13(10-14)17(18,19)20/h2-11,22H,1H3
InChIKeyGYSHBWNGTBMMMM-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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Related Compounds

N-(2,6-dimethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283357
N-(3,4-dichlorophenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283346
3-phenyl-1-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42284900
1,3-diphenyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide
CID 42285114
2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
N-(2-ethylphenyl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283313
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methyl-1-phenylpyrazole-4-sulfonamide
CID 42283379
N-(4-bromo-3-methylphenyl)-3-tert-butyl-1-phenylpyrazole-4-sulfonamide
CID 42284783
1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide
CID 166206509

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide (CID 42283326) is 3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
The InChIKey is GYSHBWNGTBMMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S/c1-12-16(11-23(21-12)15-8-3-2-4-9-15)26(24,25)22-14-7-5-6-13(10-14)17(18,19)20/h2-11,22H,1H3.
What are the key properties of 3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide?
3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide 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 3-methyl-1-phenyl-N-[3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 42283326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).