1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide

C21H23ClN4O4S — CID 24560085

IUPAC1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H23ClN4O4S/c1-4-30-19-10-9-17(11-20(19)31(28,29)25(2)3)24-21(27)16-12-23-26(14-16)13-15-7-5-6-8-18(15)22/h5-12,14H,4,13H2,1-3H3,(H,24,27)
InChIKeyQXULVXFBKXTZTR-UHFFFAOYSA-N
MW462.96 g/mol
LogP3.49
Rot. Bonds8

About 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide (PubChem CID 24560085) has the molecular formula C21H23ClN4O4S and a molecular weight of 462.96 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide
PubChem CID24560085
Molecular FormulaC21H23ClN4O4S
Molecular Weight462.96 g/mol
Exact Mass462.11
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C21H23ClN4O4S/c1-4-30-19-10-9-17(11-20(19)31(28,29)25(2)3)24-21(27)16-12-23-26(14-16)13-15-7-5-6-8-18(15)22/h5-12,14H,4,13H2,1-3H3,(H,24,27)
InChIKeyQXULVXFBKXTZTR-UHFFFAOYSA-N
XLogP3.49
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide
CID 24559888
1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide
CID 27133783
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-3,5-dimethylbenzamide
CID 26421618
1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 24641718
1-[(2-chlorophenyl)methyl]-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 17476630
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-propan-2-ylbenzamide
CID 9470040
1-[(2-chlorophenyl)methyl]-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 39723136
1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide
CID 110882308
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide
CID 38588800
N-[(2S)-1-[3-(dimethylsulfamoyl)-4-ethoxyanilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55942871
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-4-(trifluoromethyl)benzamide
CID 9470026
N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55756894

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide (CID 24560085) is 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide is CCOc1ccc(NC(=O)c2cnn(Cc3ccccc3Cl)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide?
The InChIKey is QXULVXFBKXTZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O4S/c1-4-30-19-10-9-17(11-20(19)31(28,29)25(2)3)24-21(27)16-12-23-26(14-16)13-15-7-5-6-8-18(15)22/h5-12,14H,4,13H2,1-3H3,(H,24,27).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide has a molecular weight of 462.96 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 24560085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).