N-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide

C20H20Cl2N4O3S — CID 4603322

IUPACN-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)cc1
InChIInChI=1S/C20H20Cl2N4O3S/c1-12-20(13(2)26(24-12)11-15-4-9-18(21)19(22)10-15)25-30(28,29)17-7-5-16(6-8-17)23-14(3)27/h4-10,25H,11H2,1-3H3,(H,23,27)
InChIKeyJTYOFCIZRWQYPT-UHFFFAOYSA-N
MW467.38 g/mol
LogP4.61
Rot. Bonds6

About N-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide

N-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide (PubChem CID 4603322) has the molecular formula C20H20Cl2N4O3S and a molecular weight of 467.38 g/mol. Its IUPAC name is N-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide
PubChem CID4603322
Molecular FormulaC20H20Cl2N4O3S
Molecular Weight467.38 g/mol
Exact Mass466.06
IUPAC NameN-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)cc1
InChIInChI=1S/C20H20Cl2N4O3S/c1-12-20(13(2)26(24-12)11-15-4-9-18(21)19(22)10-15)25-30(28,29)17-7-5-16(6-8-17)23-14(3)27/h4-10,25H,11H2,1-3H3,(H,23,27)
InChIKeyJTYOFCIZRWQYPT-UHFFFAOYSA-N
XLogP4.61
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.38
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide (CID 4603322) is N-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)cc1.
What is the InChIKey of N-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is JTYOFCIZRWQYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O3S/c1-12-20(13(2)26(24-12)11-15-4-9-18(21)19(22)10-15)25-30(28,29)17-7-5-16(6-8-17)23-14(3)27/h4-10,25H,11H2,1-3H3,(H,23,27).
What are the key properties of N-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide?
N-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 467.38 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 4603322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).