4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide

C24H24N4O3S — CID 15860387

IUPAC4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H24N4O3S/c25-23(26)20-6-8-21(9-7-20)24(29)27-14-16-28(17-15-27)32(30,31)22-12-10-19(11-13-22)18-4-2-1-3-5-18/h1-13H,14-17H2,(H3,25,26)
InChIKeyDJLZOZIUGBQQMS-UHFFFAOYSA-N
MW448.55 g/mol
LogP2.78
Rot. Bonds5

About 4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide

4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide (PubChem CID 15860387) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
PubChem CID15860387
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1
InChIInChI=1S/C24H24N4O3S/c25-23(26)20-6-8-21(9-7-20)24(29)27-14-16-28(17-15-27)32(30,31)22-12-10-19(11-13-22)18-4-2-1-3-5-18/h1-13H,14-17H2,(H3,25,26)
InChIKeyDJLZOZIUGBQQMS-UHFFFAOYSA-N
XLogP2.78
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

acetic acid;4-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 162311349
4-[3-oxo-3-[4-(4-phenylphenyl)sulfonylpiperazin-1-yl]propyl]benzenecarboximidamide
CID 18382226
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(4-phenylphenyl)methanone
CID 1147933
acetic acid;4-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 162315952
3-[4-(4-chlorophenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 18382093
4-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
CID 18382172
acetic acid;4-(4-methylsulfonylpiperazine-1-carbonyl)benzenecarboximidamide
CID 162310862
acetic acid;4-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]benzenecarboximidamide
CID 162318159
[4-(benzenesulfonyl)piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 9495959
2-[4-[4-(4-carbamimidoylphenyl)benzoyl]piperazin-1-yl]acetic acid;hydrochloride
CID 18933509
N-[[5-[4-(4-carbamimidoylbenzoyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 18382304
acetic acid;3-methyl-4-[4-(4-propylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide
CID 162319118

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
The IUPAC name of 4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide (CID 15860387) is 4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide.
What is the SMILES notation for 4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
The canonical SMILES for 4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1.
What is the InChIKey of 4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
The InChIKey is DJLZOZIUGBQQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c25-23(26)20-6-8-21(9-7-20)24(29)27-14-16-28(17-15-27)32(30,31)22-12-10-19(11-13-22)18-4-2-1-3-5-18/h1-13H,14-17H2,(H3,25,26).
What are the key properties of 4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide?
4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide has a molecular weight of 448.55 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-phenylphenyl)sulfonylpiperazine-1-carbonyl]benzenecarboximidamide is sourced from PubChem (CID 15860387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).