1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C18H14ClF3N4O3S — CID 91473491

IUPAC1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNS(=O)(=O)Cc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C18H14ClF3N4O3S/c19-12-5-7-13(8-6-12)26-16(18(20,21)22)14(9-24-26)17(27)25-15-4-2-1-3-11(15)10-30(23,28)29/h1-9H,10H2,(H,25,27)(H2,23,28,29)
InChIKeyYJBYADAQQSTLAB-UHFFFAOYSA-N
MW458.85 g/mol
LogP3.59
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 91473491) has the molecular formula C18H14ClF3N4O3S and a molecular weight of 458.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID91473491
Molecular FormulaC18H14ClF3N4O3S
Molecular Weight458.85 g/mol
Exact Mass458.04
IUPAC Name1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESNS(=O)(=O)Cc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F
InChIInChI=1S/C18H14ClF3N4O3S/c19-12-5-7-13(8-6-12)26-16(18(20,21)22)14(9-24-26)17(27)25-15-4-2-1-3-11(15)10-30(23,28)29/h1-9H,10H2,(H,25,27)(H2,23,28,29)
InChIKeyYJBYADAQQSTLAB-UHFFFAOYSA-N
XLogP3.59
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.85
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 11211557
N'1-{[1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-methylbenzene-1-sulfonohydrazide
CID 2808259
1-(4-chlorophenyl)-5-methyl-N-(2-{[3-(trifluoromethyl)benzyl]sulfanyl}ethyl)-1H-pyrazole-4-carboxamide
CID 2810621
1-(4-chlorophenyl)-N-[2-[(4-fluorophenyl)methylsulfanyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 2810622
N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 2810778
1-(4-chlorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 44327163
1-(3-chloro-4-fluorophenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 44327364
3-(4-Chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 57411993
1-(4-chlorophenyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-5-propylpyrazole-4-carboxamide
CID 118725461
1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 155561040
N'-{[1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}benzenesulfonohydrazide
CID 2809641
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 2810620

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 91473491) is 1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is NS(=O)(=O)Cc1ccccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is YJBYADAQQSTLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N4O3S/c19-12-5-7-13(8-6-12)26-16(18(20,21)22)14(9-24-26)17(27)25-15-4-2-1-3-11(15)10-30(23,28)29/h1-9H,10H2,(H,25,27)(H2,23,28,29).
What are the key properties of 1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 458.85 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(sulfamoylmethyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 91473491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).