2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide

C19H18Cl2N4O3S — CID 53255401

IUPAC2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)n(C)n1
InChIInChI=1S/C19H18Cl2N4O3S/c1-12-9-18(25(2)23-12)24-29(27,28)15-6-4-14(5-7-15)22-19(26)11-13-3-8-16(20)17(21)10-13/h3-10,24H,11H2,1-2H3,(H,22,26)
InChIKeyGVWNZKYTGBSOKP-UHFFFAOYSA-N
MW453.35 g/mol
LogP4.02
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide

2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide (PubChem CID 53255401) has the molecular formula C19H18Cl2N4O3S and a molecular weight of 453.35 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide
PubChem CID53255401
Molecular FormulaC19H18Cl2N4O3S
Molecular Weight453.35 g/mol
Exact Mass452.05
IUPAC Name2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)n(C)n1
InChIInChI=1S/C19H18Cl2N4O3S/c1-12-9-18(25(2)23-12)24-29(27,28)15-6-4-14(5-7-15)22-19(26)11-13-3-8-16(20)17(21)10-13/h3-10,24H,11H2,1-2H3,(H,22,26)
InChIKeyGVWNZKYTGBSOKP-UHFFFAOYSA-N
XLogP4.02
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.35
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide (CID 53255401) is 2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)n(C)n1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide?
The InChIKey is GVWNZKYTGBSOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O3S/c1-12-9-18(25(2)23-12)24-29(27,28)15-6-4-14(5-7-15)22-19(26)11-13-3-8-16(20)17(21)10-13/h3-10,24H,11H2,1-2H3,(H,22,26).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide?
2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide has a molecular weight of 453.35 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 53255401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).