4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide

C22H29N3O3S — CID 55346373

IUPAC4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-18(2)23-29(27,28)21-11-9-20(10-12-21)22(26)25-15-13-24(14-16-25)17-19-7-5-4-6-8-19/h4-12,18,23H,3,13-17H2,1-2H3
InChIKeyOMRWJAVQFVUDLR-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.72
Rot. Bonds7

About 4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide

4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide (PubChem CID 55346373) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is 4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide
PubChem CID55346373
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H29N3O3S/c1-3-18(2)23-29(27,28)21-11-9-20(10-12-21)22(26)25-15-13-24(14-16-25)17-19-7-5-4-6-8-19/h4-12,18,23H,3,13-17H2,1-2H3
InChIKeyOMRWJAVQFVUDLR-UHFFFAOYSA-N
XLogP2.72
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55456258
(4-benzylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone
CID 55752420
N-butan-2-yl-4-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55376317
N-butan-2-yl-4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 55718950
4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109043879
N-[4-(4-benzylpiperazine-1-carbonyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 27671578
4-(4-benzyl-1,4-diazepane-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 35800211
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
N-ethyl-4-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 9226582
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 84912637
6-[4-(butan-2-ylsulfamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174414

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide (CID 55346373) is 4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide?
The InChIKey is OMRWJAVQFVUDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-18(2)23-29(27,28)21-11-9-20(10-12-21)22(26)25-15-13-24(14-16-25)17-19-7-5-4-6-8-19/h4-12,18,23H,3,13-17H2,1-2H3.
What are the key properties of 4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide?
4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide has a molecular weight of 415.56 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide is sourced from PubChem (CID 55346373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).