N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide

C23H32N4O5S2 — CID 29195584

IUPACN-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H32N4O5S2/c1-3-26(4-2)33(29,30)22-12-10-20(11-13-22)23(28)24-14-15-25-16-18-27(19-17-25)34(31,32)21-8-6-5-7-9-21/h5-13H,3-4,14-19H2,1-2H3,(H,24,28)
InChIKeyGZTBRVVEKCNKBG-UHFFFAOYSA-N
MW508.67 g/mol
LogP1.45
Rot. Bonds10

About N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide

N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide (PubChem CID 29195584) has the molecular formula C23H32N4O5S2 and a molecular weight of 508.67 g/mol. Its IUPAC name is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide
PubChem CID29195584
Molecular FormulaC23H32N4O5S2
Molecular Weight508.67 g/mol
Exact Mass508.18
IUPAC NameN-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C(=O)NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C23H32N4O5S2/c1-3-26(4-2)33(29,30)22-12-10-20(11-13-22)23(28)24-14-15-25-16-18-27(19-17-25)34(31,32)21-8-6-5-7-9-21/h5-13H,3-4,14-19H2,1-2H3,(H,24,28)
InChIKeyGZTBRVVEKCNKBG-UHFFFAOYSA-N
XLogP1.45
TPSA107.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.67
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 29195438
N-[2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-phenylbenzamide
CID 29196125
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2-methylbenzamide
CID 29195358
4-(diethylsulfamoyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392771
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-2,6-dimethoxybenzamide
CID 29195699
4-(diethylsulfamoyl)-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175284
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 20933692
4-(4-formylpiperazin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 19258233
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-5-bromofuran-2-carboxamide
CID 29195593
3,4-difluoro-N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethyl]benzamide
CID 20933689
N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
CID 46387530

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide (CID 29195584) is N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide?
The InChIKey is GZTBRVVEKCNKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5S2/c1-3-26(4-2)33(29,30)22-12-10-20(11-13-22)23(28)24-14-15-25-16-18-27(19-17-25)34(31,32)21-8-6-5-7-9-21/h5-13H,3-4,14-19H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide?
N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide has a molecular weight of 508.67 g/mol, XLogP of 1.45, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 29195584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).