4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide

C24H24BrN3O5S2 — CID 162673923

IUPAC4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)c2cccc(Br)c2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24BrN3O5S2/c1-26-24(29)23-17-27(34(30,31)22-9-5-8-20(25)16-22)14-15-28(23)35(32,33)21-12-10-19(11-13-21)18-6-3-2-4-7-18/h2-13,16,23H,14-15,17H2,1H3,(H,26,29)
InChIKeyQDJQNSNYGIVJFQ-UHFFFAOYSA-N
MW578.51 g/mol
LogP2.93
Rot. Bonds6

About 4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide

4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide (PubChem CID 162673923) has the molecular formula C24H24BrN3O5S2 and a molecular weight of 578.51 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide
PubChem CID162673923
Molecular FormulaC24H24BrN3O5S2
Molecular Weight578.51 g/mol
Exact Mass577.03
IUPAC Name4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(S(=O)(=O)c2cccc(Br)c2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H24BrN3O5S2/c1-26-24(29)23-17-27(34(30,31)22-9-5-8-20(25)16-22)14-15-28(23)35(32,33)21-12-10-19(11-13-21)18-6-3-2-4-7-18/h2-13,16,23H,14-15,17H2,1H3,(H,26,29)
InChIKeyQDJQNSNYGIVJFQ-UHFFFAOYSA-N
XLogP2.93
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500578.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-iodophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide
CID 162661004
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
4-acetyl-1-(3-bromophenyl)sulfonylpiperazine-2-carboxylic acid
CID 91321253
(2S)-1,4-bis(benzenesulfonyl)-N-(4-bromo-3-chlorophenyl)piperazine-2-carboxamide
CID 126274990
1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide
CID 2864807
(2S)-1,4-bis(benzenesulfonyl)-N-(2-chlorophenyl)piperazine-2-carboxamide
CID 999495
1,4-bis(benzenesulfonyl)-N-(2-phenylethyl)piperazine-2-carboxamide
CID 3105136
(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

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide?
The IUPAC name of 4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide (CID 162673923) is 4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide.
What is the SMILES notation for 4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide?
The canonical SMILES for 4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide is CNC(=O)C1CN(S(=O)(=O)c2cccc(Br)c2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide?
The InChIKey is QDJQNSNYGIVJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrN3O5S2/c1-26-24(29)23-17-27(34(30,31)22-9-5-8-20(25)16-22)14-15-28(23)35(32,33)21-12-10-19(11-13-21)18-6-3-2-4-7-18/h2-13,16,23H,14-15,17H2,1H3,(H,26,29).
What are the key properties of 4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide?
4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide has a molecular weight of 578.51 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfonyl-N-methyl-1-(4-phenylphenyl)sulfonylpiperazine-2-carboxamide is sourced from PubChem (CID 162673923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).