2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide

C17H14Cl2N4O3S — CID 53255393

IUPAC2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C17H14Cl2N4O3S/c18-14-6-1-11(9-15(14)19)10-17(24)21-12-2-4-13(5-3-12)27(25,26)23-16-7-8-20-22-16/h1-9H,10H2,(H,21,24)(H2,20,22,23)
InChIKeySDBXCGIPGMBOSJ-UHFFFAOYSA-N
MW425.30 g/mol
LogP3.70
Rot. Bonds6

About 2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide

2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide (PubChem CID 53255393) has the molecular formula C17H14Cl2N4O3S and a molecular weight of 425.30 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide
PubChem CID53255393
Molecular FormulaC17H14Cl2N4O3S
Molecular Weight425.30 g/mol
Exact Mass424.02
IUPAC Name2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide
SMILESO=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ccn[nH]2)cc1
InChIInChI=1S/C17H14Cl2N4O3S/c18-14-6-1-11(9-15(14)19)10-17(24)21-12-2-4-13(5-3-12)27(25,26)23-16-7-8-20-22-16/h1-9H,10H2,(H,21,24)(H2,20,22,23)
InChIKeySDBXCGIPGMBOSJ-UHFFFAOYSA-N
XLogP3.70
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.30
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dichlorophenyl)-N-[4-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]phenyl]acetamide
CID 53255401
4-chloro-3-[(4-fluorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835623
5-chloro-2-[(4-chlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 11654482
N-[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513570
N-[4-[[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22201718
N-[4-[[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22206450
N-[4-[[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22206902
N-[4-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]sulfamoyl]phenyl]acetamide
CID 22206950
2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-N-(1-methylpyrazol-3-yl)acetamide
CID 31850188
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
CID 47835432
3-[(3,4-dichlorophenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835676
4-[(4-chlorophenyl)sulfamoyl]-N-(1H-pyrazol-5-yl)benzamide
CID 47835687

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide (CID 53255393) is 2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide is O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ccn[nH]2)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide?
The InChIKey is SDBXCGIPGMBOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O3S/c18-14-6-1-11(9-15(14)19)10-17(24)21-12-2-4-13(5-3-12)27(25,26)23-16-7-8-20-22-16/h1-9H,10H2,(H,21,24)(H2,20,22,23).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide?
2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide has a molecular weight of 425.30 g/mol, XLogP of 3.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[4-(1H-pyrazol-5-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 53255393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).