1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide

C18H16Cl2N4O4S — CID 35326325

IUPAC1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C18H16Cl2N4O4S/c19-14-2-1-3-15(20)17(14)28-11-24-9-8-16(23-24)18(25)22-10-12-4-6-13(7-5-12)29(21,26)27/h1-9H,10-11H2,(H,22,25)(H2,21,26,27)
InChIKeyXTWLAJIJPLBENE-UHFFFAOYSA-N
MW455.32 g/mol
LogP2.80
Rot. Bonds7

About 1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide

1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide (PubChem CID 35326325) has the molecular formula C18H16Cl2N4O4S and a molecular weight of 455.32 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
PubChem CID35326325
Molecular FormulaC18H16Cl2N4O4S
Molecular Weight455.32 g/mol
Exact Mass454.03
IUPAC Name1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)cc1
InChIInChI=1S/C18H16Cl2N4O4S/c19-14-2-1-3-15(20)17(14)28-11-24-9-8-16(23-24)18(25)22-10-12-4-6-13(7-5-12)29(21,26)27/h1-9H,10-11H2,(H,22,25)(H2,21,26,27)
InChIKeyXTWLAJIJPLBENE-UHFFFAOYSA-N
XLogP2.80
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.32
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 19269884
1-[(2,6-dichlorophenoxy)methyl]-N-(2,6-dichlorophenyl)pyrazole-3-carboxamide
CID 19269839
1-[(2,6-dichlorophenoxy)methyl]-N-(5-ethylsulfonyl-2-hydroxyphenyl)pyrazole-3-carboxamide
CID 19270106
N-[3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19326112
N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4867173
1-[(2,6-dichlorophenoxy)methyl]-N-(4-phenylphenyl)pyrazole-3-carboxamide
CID 19269906
N-(1-benzylpyrazol-4-yl)-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19397518
N-(5-bromoquinolin-8-yl)-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269826
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19270047
1-[(2,6-dichlorophenoxy)methyl]-N-(2-hydroxy-4-nitrophenyl)pyrazole-3-carboxamide
CID 19270109
1-[(2,6-dichlorophenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)pyrazole-3-carboxamide
CID 19393542
1-[(2,6-dichlorophenoxy)methyl]-N-(2,4-difluorophenyl)pyrazole-3-carboxamide
CID 35529448

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide (CID 35326325) is 1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)cc1.
What is the InChIKey of 1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide?
The InChIKey is XTWLAJIJPLBENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O4S/c19-14-2-1-3-15(20)17(14)28-11-24-9-8-16(23-24)18(25)22-10-12-4-6-13(7-5-12)29(21,26)27/h1-9H,10-11H2,(H,22,25)(H2,21,26,27).
What are the key properties of 1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide?
1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide has a molecular weight of 455.32 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenoxy)methyl]-N-[(4-sulfamoylphenyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 35326325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).