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

C17H19ClN4O3S — CID 122187425

IUPAC4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C17H19ClN4O3S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
InChIKeyLQYJQMIXCYVLKQ-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.34
Rot. Bonds3

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

4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (PubChem CID 122187425) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
PubChem CID122187425
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC Name4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C17H19ClN4O3S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25)
InChIKeyLQYJQMIXCYVLKQ-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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Related Compounds

AI-204/31750036
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Glyparamide
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1-[2-[4-(4-Fluorophenyl)piperazin-1-yl]ethyl]-3-(4-sulfamoylphenyl)urea
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CID 1011581
1-(3-Chlorophenyl)-3-(4-sulfamoylphenyl)urea
CID 307505
4-{[(4-Chloro-2-fluorophenyl)carbamoyl]amino}benzenesulfonamide
CID 17250082
3-[1-(4-Chlorophenyl)piperidin-4-yl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 20610118
N-(4-chlorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (CID 122187425) is 4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The InChIKey is LQYJQMIXCYVLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c18-13-1-5-15(6-2-13)21-9-11-22(12-10-21)17(23)20-14-3-7-16(8-4-14)26(19,24)25/h1-8H,9-12H2,(H,20,23)(H2,19,24,25).
What are the key properties of 4-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
4-(4-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-(4-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 122187425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).