N-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide

C18H20ClN3O3S — CID 166637094

IUPACN-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CNCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3S/c19-15-6-8-16(9-7-15)26(24,25)22-11-10-20-13-17(22)18(23)21-12-14-4-2-1-3-5-14/h1-9,17,20H,10-13H2,(H,21,23)
InChIKeyKUSJBEOIONCWJS-UHFFFAOYSA-N
MW393.90 g/mol
LogP1.62
Rot. Bonds5

About N-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide

N-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide (PubChem CID 166637094) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide
PubChem CID166637094
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide
SMILESO=C(NCc1ccccc1)C1CNCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O3S/c19-15-6-8-16(9-7-15)26(24,25)22-11-10-20-13-17(22)18(23)21-12-14-4-2-1-3-5-14/h1-9,17,20H,10-13H2,(H,21,23)
InChIKeyKUSJBEOIONCWJS-UHFFFAOYSA-N
XLogP1.62
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide?
The IUPAC name of N-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide (CID 166637094) is N-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide?
The canonical SMILES for N-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide is O=C(NCc1ccccc1)C1CNCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide?
The InChIKey is KUSJBEOIONCWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c19-15-6-8-16(9-7-15)26(24,25)22-11-10-20-13-17(22)18(23)21-12-14-4-2-1-3-5-14/h1-9,17,20H,10-13H2,(H,21,23).
What are the key properties of N-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide?
N-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide has a molecular weight of 393.90 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-chlorophenyl)sulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 166637094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).