N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide

C18H15F3N4O3S — CID 166383904

IUPACN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3[nH]ncc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H15F3N4O3S/c1-11-2-8-14(9-3-11)29(27,28)25-13-6-4-12(5-7-13)23-17(26)16-15(10-22-24-16)18(19,20)21/h2-10,25H,1H3,(H,22,24)(H,23,26)
InChIKeyKVVMUENPOUMCDR-UHFFFAOYSA-N
MW424.40 g/mol
LogP3.79
Rot. Bonds5

About N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide

N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide (PubChem CID 166383904) has the molecular formula C18H15F3N4O3S and a molecular weight of 424.40 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
PubChem CID166383904
Molecular FormulaC18H15F3N4O3S
Molecular Weight424.40 g/mol
Exact Mass424.08
IUPAC NameN-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3[nH]ncc3C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H15F3N4O3S/c1-11-2-8-14(9-3-11)29(27,28)25-13-6-4-12(5-7-13)23-17(26)16-15(10-22-24-16)18(19,20)21/h2-10,25H,1H3,(H,22,24)(H,23,26)
InChIKeyKVVMUENPOUMCDR-UHFFFAOYSA-N
XLogP3.79
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.40
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
4-[(4-fluorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2666297
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 2982317
N-(4-fluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115470
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-2-iodo-4-methylbenzamide
CID 100525126
propan-2-yl 2,4-dimethyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 55439633
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzamide
CID 7553542
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 1333667
4-[(4-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 9411666
N-[4-[[4-(4-methylanilino)phenyl]sulfamoyl]phenyl]acetamide
CID 112986068
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789421

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide (CID 166383904) is N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide is Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3[nH]ncc3C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KVVMUENPOUMCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O3S/c1-11-2-8-14(9-3-11)29(27,28)25-13-6-4-12(5-7-13)23-17(26)16-15(10-22-24-16)18(19,20)21/h2-10,25H,1H3,(H,22,24)(H,23,26).
What are the key properties of N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide?
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 424.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-4-(trifluoromethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 166383904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).