1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide

C24H25N3O6S2 — CID 2864807

IUPAC1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide
SMILESCOc1cccc(NC(=O)C2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H25N3O6S2/c1-33-20-10-8-9-19(17-20)25-24(28)23-18-26(34(29,30)21-11-4-2-5-12-21)15-16-27(23)35(31,32)22-13-6-3-7-14-22/h2-14,17,23H,15-16,18H2,1H3,(H,25,28)
InChIKeyMVPVZBYZWSWGNF-UHFFFAOYSA-N
MW515.61 g/mol
LogP2.40
Rot. Bonds7

About 1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide

1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide (PubChem CID 2864807) has the molecular formula C24H25N3O6S2 and a molecular weight of 515.61 g/mol. Its IUPAC name is 1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide
PubChem CID2864807
Molecular FormulaC24H25N3O6S2
Molecular Weight515.61 g/mol
Exact Mass515.12
IUPAC Name1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide
SMILESCOc1cccc(NC(=O)C2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C24H25N3O6S2/c1-33-20-10-8-9-19(17-20)25-24(28)23-18-26(34(29,30)21-11-4-2-5-12-21)15-16-27(23)35(31,32)22-13-6-3-7-14-22/h2-14,17,23H,15-16,18H2,1H3,(H,25,28)
InChIKeyMVPVZBYZWSWGNF-UHFFFAOYSA-N
XLogP2.40
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,4-bis(benzenesulfonyl)-N-(3,4-dimethoxyphenyl)piperazine-2-carboxamide
CID 2864601
(2R)-1,4-bis(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperazine-2-carboxamide
CID 94860774
(2S)-1,4-bis(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperazine-2-carboxamide
CID 126189925
2-(benzenesulfonyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 53091295
(2R)-1,4-bis(benzenesulfonyl)-N-[3-[methyl(methylsulfonyl)amino]phenyl]piperazine-2-carboxamide
CID 94854321
methyl 5-[[1,4-bis(benzenesulfonyl)piperazine-2-carbonyl]amino]-2-chlorobenzoate
CID 2954069
(2R)-1,4-bis(benzenesulfonyl)-N-(4-chlorophenyl)piperazine-2-carboxamide
CID 1106387
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
(2R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 1468399
(2R)-N-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 40894588
(2S)-1,4-bis(benzenesulfonyl)-N-(4-bromo-3-chlorophenyl)piperazine-2-carboxamide
CID 126274990
(2R)-1,4-bis(benzenesulfonyl)-N-(4-chloro-2-methylphenyl)piperazine-2-carboxamide
CID 1007052

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide?
The IUPAC name of 1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide (CID 2864807) is 1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide.
What is the SMILES notation for 1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide?
The canonical SMILES for 1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide is COc1cccc(NC(=O)C2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide?
The InChIKey is MVPVZBYZWSWGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S2/c1-33-20-10-8-9-19(17-20)25-24(28)23-18-26(34(29,30)21-11-4-2-5-12-21)15-16-27(23)35(31,32)22-13-6-3-7-14-22/h2-14,17,23H,15-16,18H2,1H3,(H,25,28).
What are the key properties of 1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide?
1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide has a molecular weight of 515.61 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-2-carboxamide is sourced from PubChem (CID 2864807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).