1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide

C20H21ClN4O4S — CID 27133783

IUPAC1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C20H21ClN4O4S/c1-24(2)30(27,28)16-8-9-19(29-3)18(10-16)23-20(26)15-11-22-25(13-15)12-14-6-4-5-7-17(14)21/h4-11,13H,12H2,1-3H3,(H,23,26)
InChIKeyDJNRNSYHVIOWLF-UHFFFAOYSA-N
MW448.93 g/mol
LogP3.10
Rot. Bonds7

About 1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide (PubChem CID 27133783) has the molecular formula C20H21ClN4O4S and a molecular weight of 448.93 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide
PubChem CID27133783
Molecular FormulaC20H21ClN4O4S
Molecular Weight448.93 g/mol
Exact Mass448.10
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C20H21ClN4O4S/c1-24(2)30(27,28)16-8-9-19(29-3)18(10-16)23-20(26)15-11-22-25(13-15)12-14-6-4-5-7-17(14)21/h4-11,13H,12H2,1-3H3,(H,23,26)
InChIKeyDJNRNSYHVIOWLF-UHFFFAOYSA-N
XLogP3.10
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 39723136
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CID 24560085
1-[(2-chlorophenyl)methyl]-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]pyrazole-4-carboxamide
CID 55893248
1-[(2-chlorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 51272109
1-benzyl-N-(5-chloro-2-methoxyphenyl)pyrazole-4-carboxamide
CID 29202321
1-[(2-chlorophenyl)methyl]-N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide
CID 24559888
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
1-[(2-chlorophenyl)methyl]-N-(2-methyl-5-nitrophenyl)pyrazole-4-carboxamide
CID 25299297
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 4877827
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,4-dimethoxybenzamide
CID 7921753
N-(5-chloro-2-methoxyphenyl)-1-ethylpyrazole-4-carboxamide
CID 35295311
2-(2,6-dichlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 18777757

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide (CID 27133783) is 1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide?
The InChIKey is DJNRNSYHVIOWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S/c1-24(2)30(27,28)16-8-9-19(29-3)18(10-16)23-20(26)15-11-22-25(13-15)12-14-6-4-5-7-17(14)21/h4-11,13H,12H2,1-3H3,(H,23,26).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide has a molecular weight of 448.93 g/mol, XLogP of 3.10, 7 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-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 27133783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).