4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

C18H22N4O3S — CID 27869236

IUPAC4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-16(7-9-17)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H2,19,24,25)
InChIKeyVJPQXXSBUBPQDB-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.68
Rot. Bonds4

About 4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (PubChem CID 27869236) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
PubChem CID27869236
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-16(7-9-17)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H2,19,24,25)
InChIKeyVJPQXXSBUBPQDB-UHFFFAOYSA-N
XLogP1.68
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (CID 27869236) is 4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The InChIKey is VJPQXXSBUBPQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c19-26(24,25)17-8-6-16(7-9-17)20-18(23)22-12-10-21(11-13-22)14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)(H2,19,24,25).
What are the key properties of 4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 27869236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).