4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

C18H21ClN4O3S — CID 27869546

IUPAC4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H21ClN4O3S/c19-15-3-1-14(2-4-15)13-22-9-11-23(12-10-22)18(24)21-16-5-7-17(8-6-16)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26)
InChIKeyGSZBDTPVSJYAAA-UHFFFAOYSA-N
MW408.91 g/mol
LogP2.34
Rot. Bonds4

About 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide

4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (PubChem CID 27869546) has the molecular formula C18H21ClN4O3S and a molecular weight of 408.91 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
PubChem CID27869546
Molecular FormulaC18H21ClN4O3S
Molecular Weight408.91 g/mol
Exact Mass408.10
IUPAC Name4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C18H21ClN4O3S/c19-15-3-1-14(2-4-15)13-22-9-11-23(12-10-22)18(24)21-16-5-7-17(8-6-16)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26)
InChIKeyGSZBDTPVSJYAAA-UHFFFAOYSA-N
XLogP2.34
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2E)-3-phenylprop-2-en-1-yl]-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
CID 1213452
1-(4-Chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
4-[(4-chlorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 6465286
1-(4-(4-Isopropylpiperazin-1-ylsulfonyl)phenyl)-3-(4-(trifluoromethyl)phenyl)urea
CID 24895839
N-(4-chlorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53371960
N-(3-chlorophenyl)-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 53372091
1-[(3-Fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea
CID 56928663
N-[(2-Fluorophenyl)methyl]-N'-[4-(piperidine-1-sulfonyl)phenyl]urea
CID 66610017
1-[(4-Fluorophenyl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)urea
CID 66610805
1-Benzyl-3-(4-piperidin-1-ylsulfonylphenyl)urea
CID 66611088
N-[(4-chlorophenyl)methyl]-N-(2-methylpropyl)-4-(4-methylsulfonylpiperazin-1-yl)benzenesulfonamide
CID 90200966
4-(2-chlorophenyl)-N-(4-sulfamoylphenyl)piperazine-1-carbothioamide
CID 1246099

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide (CID 27869546) is 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
The InChIKey is GSZBDTPVSJYAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3S/c19-15-3-1-14(2-4-15)13-22-9-11-23(12-10-22)18(24)21-16-5-7-17(8-6-16)27(20,25)26/h1-8H,9-13H2,(H,21,24)(H2,20,25,26).
What are the key properties of 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide?
4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide has a molecular weight of 408.91 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-N-(4-sulfamoylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 27869546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).