5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide

C18H15F3N4O4S — CID 53115477

IUPAC5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)Nc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C18H15F3N4O4S/c1-11-5-7-12(8-6-11)25-30(27,28)17-15(10-22-24-17)16(26)23-13-3-2-4-14(9-13)29-18(19,20)21/h2-10,25H,1H3,(H,22,24)(H,23,26)
InChIKeySBMLLAOBYIWHTF-UHFFFAOYSA-N
MW440.40 g/mol
LogP3.67
Rot. Bonds6

About 5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide

5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 53115477) has the molecular formula C18H15F3N4O4S and a molecular weight of 440.40 g/mol. Its IUPAC name is 5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID53115477
Molecular FormulaC18H15F3N4O4S
Molecular Weight440.40 g/mol
Exact Mass440.08
IUPAC Name5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)Nc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C18H15F3N4O4S/c1-11-5-7-12(8-6-11)25-30(27,28)17-15(10-22-24-17)16(26)23-13-3-2-4-14(9-13)29-18(19,20)21/h2-10,25H,1H3,(H,22,24)(H,23,26)
InChIKeySBMLLAOBYIWHTF-UHFFFAOYSA-N
XLogP3.67
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.40
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115470
N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115471
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115538
N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 171146147
N-(3-chlorophenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115439
5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934211
2,4-dimethyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38032669
N-(4-carbamoylphenyl)-5-(phenylsulfamoyl)-1H-pyrazole-4-carboxamide
CID 53115450
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carbonyl]amino]benzoate
CID 53115536
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687
5-(phenylsulfamoyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 53115449
2,3-dihydroxy-5-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 59014806

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide (CID 53115477) is 5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide is Cc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)Nc2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is SBMLLAOBYIWHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O4S/c1-11-5-7-12(8-6-11)25-30(27,28)17-15(10-22-24-17)16(26)23-13-3-2-4-14(9-13)29-18(19,20)21/h2-10,25H,1H3,(H,22,24)(H,23,26).
What are the key properties of 5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide?
5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 440.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)sulfamoyl]-N-[3-(trifluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).