1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide

C19H23N3O5S2 — CID 655093

IUPAC1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23N3O5S2/c1-2-20-19(23)18-15-21(28(24,25)16-9-5-3-6-10-16)13-14-22(18)29(26,27)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H,20,23)
InChIKeyAFHVURHOFVGFLM-UHFFFAOYSA-N
MW437.54 g/mol
LogP0.89
Rot. Bonds6

About 1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide

1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide (PubChem CID 655093) has the molecular formula C19H23N3O5S2 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide
PubChem CID655093
Molecular FormulaC19H23N3O5S2
Molecular Weight437.54 g/mol
Exact Mass437.11
IUPAC Name1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23N3O5S2/c1-2-20-19(23)18-15-21(28(24,25)16-9-5-3-6-10-16)13-14-22(18)29(26,27)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H,20,23)
InChIKeyAFHVURHOFVGFLM-UHFFFAOYSA-N
XLogP0.89
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide?
The IUPAC name of 1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide (CID 655093) is 1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide.
What is the SMILES notation for 1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide?
The canonical SMILES for 1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide is CCNC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide?
The InChIKey is AFHVURHOFVGFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5S2/c1-2-20-19(23)18-15-21(28(24,25)16-9-5-3-6-10-16)13-14-22(18)29(26,27)17-11-7-4-8-12-17/h3-12,18H,2,13-15H2,1H3,(H,20,23).
What are the key properties of 1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide?
1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 0.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(benzenesulfonyl)-N-ethylpiperazine-2-carboxamide is sourced from PubChem (CID 655093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).