4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

C17H19ClN4O3S — CID 24650532

IUPAC4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H19ClN4O3S/c18-13-2-1-3-15(12-13)21-8-10-22(11-9-21)17(23)20-14-4-6-16(7-5-14)26(19,24)25/h1-7,12H,8-11H2,(H,20,23)(H2,19,24,25)
InChIKeyMZZXOTHWXMXLDN-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.34
Rot. Bonds3

About 4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (PubChem CID 24650532) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
PubChem CID24650532
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC Name4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H19ClN4O3S/c18-13-2-1-3-15(12-13)21-8-10-22(11-9-21)17(23)20-14-4-6-16(7-5-14)26(19,24)25/h1-7,12H,8-11H2,(H,20,23)(H2,19,24,25)
InChIKeyMZZXOTHWXMXLDN-UHFFFAOYSA-N
XLogP2.34
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (CID 24650532) is 4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The InChIKey is MZZXOTHWXMXLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c18-13-2-1-3-15(12-13)21-8-10-22(11-9-21)17(23)20-14-4-6-16(7-5-14)26(19,24)25/h1-7,12H,8-11H2,(H,20,23)(H2,19,24,25).
What are the key properties of 4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 24650532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).