4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

C17H18Cl2N4O3S — CID 122187426

IUPAC4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C17H18Cl2N4O3S/c18-15-6-3-13(11-16(15)19)22-7-9-23(10-8-22)17(24)21-12-1-4-14(5-2-12)27(20,25)26/h1-6,11H,7-10H2,(H,21,24)(H2,20,25,26)
InChIKeyLBRAGTDNUYBWGU-UHFFFAOYSA-N
MW429.33 g/mol
LogP2.99
Rot. Bonds3

About 4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (PubChem CID 122187426) has the molecular formula C17H18Cl2N4O3S and a molecular weight of 429.33 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
PubChem CID122187426
Molecular FormulaC17H18Cl2N4O3S
Molecular Weight429.33 g/mol
Exact Mass428.05
IUPAC Name4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1
InChIInChI=1S/C17H18Cl2N4O3S/c18-15-6-3-13(11-16(15)19)22-7-9-23(10-8-22)17(24)21-12-1-4-14(5-2-12)27(20,25)26/h1-6,11H,7-10H2,(H,21,24)(H2,20,25,26)
InChIKeyLBRAGTDNUYBWGU-UHFFFAOYSA-N
XLogP2.99
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3,4-Dichlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10183204
N-(4-chlorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53371960
N-(3-chlorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372091
1-(3,4-Dichloro-phenyl)-3-[4-(4-methyl-piperazin-1-yl)-phenyl]-urea
CID 53250150
1-Piperazinecarboxamide, 4-(3,4-dichlorophenyl)-N-(4-fluorophenyl)-
CID 982735
4-(2-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
CID 1246099
4-(2-chlorophenyl)-N-[4-(dimethylsulfamoyl)phenyl]piperazine-1-carboxamide
CID 1485493
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2685618
4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
CID 2956368
1-[3-[(2-Chlorophenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]-3-(3,4-dichlorophenyl)urea
CID 3650002
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(4-sulfamoylphenyl)acetamide
CID 5019114
1-(2,4-Dichlorophenyl)-3-(3-piperidin-1-ylsulfonylphenyl)urea
CID 5069805

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (CID 122187426) is 4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The InChIKey is LBRAGTDNUYBWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O3S/c18-15-6-3-13(11-16(15)19)22-7-9-23(10-8-22)17(24)21-12-1-4-14(5-2-12)27(20,25)26/h1-6,11H,7-10H2,(H,21,24)(H2,20,25,26).
What are the key properties of 4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide has a molecular weight of 429.33 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122187426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).