N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide

C19H19ClN4O4S — CID 53115672

IUPACN-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN4O4S/c1-28-16-8-6-15(7-9-16)24-29(26,27)19-17(12-22-23-19)18(25)21-11-10-13-2-4-14(20)5-3-13/h2-9,12,24H,10-11H2,1H3,(H,21,25)(H,22,23)
InChIKeyJNKCAIANGOGITL-UHFFFAOYSA-N
MW434.91 g/mol
LogP2.85
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (PubChem CID 53115672) has the molecular formula C19H19ClN4O4S and a molecular weight of 434.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
PubChem CID53115672
Molecular FormulaC19H19ClN4O4S
Molecular Weight434.91 g/mol
Exact Mass434.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)NCCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H19ClN4O4S/c1-28-16-8-6-15(7-9-16)24-29(26,27)19-17(12-22-23-19)18(25)21-11-10-13-2-4-14(20)5-3-13/h2-9,12,24H,10-11H2,1H3,(H,21,25)(H,22,23)
InChIKeyJNKCAIANGOGITL-UHFFFAOYSA-N
XLogP2.85
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.91
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115660
N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115668
N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115664
5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 171146148
5-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26586018
N-[2-(4-chlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 91440664
4-chloro-2-fluoro-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 26024473
2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 27646500
2-amino-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 61117267
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]benzamide
CID 24687539
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223
5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (CID 53115672) is N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is COc1ccc(NS(=O)(=O)c2[nH]ncc2C(=O)NCCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The InChIKey is JNKCAIANGOGITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O4S/c1-28-16-8-6-15(7-9-16)24-29(26,27)19-17(12-22-23-19)18(25)21-11-10-13-2-4-14(20)5-3-13/h2-9,12,24H,10-11H2,1H3,(H,21,25)(H,22,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide has a molecular weight of 434.91 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).