4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide

C24H24IN3O5S2 — CID 162661004

IUPAC4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)c2ccc(I)cc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24IN3O5S2/c1-26-24(29)23-17-27(34(30,31)21-13-9-20(25)10-14-21)15-16-28(23)35(32,33)22-11-7-19(8-12-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,26,29)
InChIKeyJVFMEABEATUNSQ-UHFFFAOYSA-N
MW625.51 g/mol
LogP2.77
Rot. Bonds6

About 4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide

4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide (PubChem CID 162661004) has the molecular formula C24H24IN3O5S2 and a molecular weight of 625.51 g/mol. Its IUPAC name is 4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide
PubChem CID162661004
Molecular FormulaC24H24IN3O5S2
Molecular Weight625.51 g/mol
Exact Mass625.02
IUPAC Name4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)c2ccc(I)cc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24IN3O5S2/c1-26-24(29)23-17-27(34(30,31)21-13-9-20(25)10-14-21)15-16-28(23)35(32,33)22-11-7-19(8-12-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,26,29)
InChIKeyJVFMEABEATUNSQ-UHFFFAOYSA-N
XLogP2.77
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.51
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide
CID 162673923
(2R)-1,4-bis(benzenesulfonyl)-N-(4-iodo-2-methylphenyl)piperazine-2-carboxamide
CID 126116554
4-(benzenesulfonyl)-N-methyl-1-propan-2-ylpiperazine-2-carboxamide
CID 175656886
(2R)-1,4-bis(benzenesulfonyl)-N-[(1R)-1-phenylethyl]piperazine-2-carboxamide
CID 1106368
(2S)-1,4-bis[(4-iodophenyl)sulfonyl]-2-methylpiperazine
CID 92905831
1,4-bis(benzenesulfonyl)-N-(2-phenylethyl)piperazine-2-carboxamide
CID 3105136
(2S)-1,4-bis(benzenesulfonyl)-N-(2-chlorophenyl)piperazine-2-carboxamide
CID 999495
(2R)-1,4-bis(benzenesulfonyl)-N-(4-chlorophenyl)piperazine-2-carboxamide
CID 1106387
1,4-bis(benzenesulfonyl)-N-(benzylideneamino)piperazine-2-carboxamide
CID 5018915
(2S)-1,4-bis(benzenesulfonyl)-N-(2-phenylethyl)piperazine-2-carboxamide
CID 6548678
(2S)-1,4-bis(benzenesulfonyl)-N-(2-fluorophenyl)piperazine-2-carboxamide
CID 41299837
1,4-bis(benzenesulfonyl)-N-(2-tert-butylsulfanylethyl)piperazine-2-carboxamide
CID 4994357

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide?
The IUPAC name of 4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide (CID 162661004) is 4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide.
What is the SMILES notation for 4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide?
The canonical SMILES for 4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide is CNC(=O)C1CN(S(=O)(=O)c2ccc(I)cc2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide?
The InChIKey is JVFMEABEATUNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24IN3O5S2/c1-26-24(29)23-17-27(34(30,31)21-13-9-20(25)10-14-21)15-16-28(23)35(32,33)22-11-7-19(8-12-22)18-5-3-2-4-6-18/h2-14,23H,15-17H2,1H3,(H,26,29).
What are the key properties of 4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide?
4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide has a molecular weight of 625.51 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 162661004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).