4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide

C22H24N4O2S — CID 46256500

IUPAC4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide
SMILESN/C(=N/S(=O)(=O)c1ccc2ccccc2c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2S/c23-22(26-14-12-25(13-15-26)17-18-6-2-1-3-7-18)24-29(27,28)21-11-10-19-8-4-5-9-20(19)16-21/h1-11,16H,12-15,17H2,(H2,23,24)
InChIKeyYHTPPDATIJHHFG-UHFFFAOYSA-N
MW408.53 g/mol
LogP2.66
Rot. Bonds4

About 4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide

4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide (PubChem CID 46256500) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is 4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide
PubChem CID46256500
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide
SMILESN/C(=N/S(=O)(=O)c1ccc2ccccc2c1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2S/c23-22(26-14-12-25(13-15-26)17-18-6-2-1-3-7-18)24-29(27,28)21-11-10-19-8-4-5-9-20(19)16-21/h1-11,16H,12-15,17H2,(H2,23,24)
InChIKeyYHTPPDATIJHHFG-UHFFFAOYSA-N
XLogP2.66
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine;oxalic acid
CID 2902367
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
N-[(2R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propan-2-yl]naphthalene-2-sulfonamide
CID 50915001
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]naphthalene-2-carboxamide
CID 27671411
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-naphthalen-2-ylsulfonyl-4-[(3-nitrophenyl)methyl]piperazine;oxalic acid
CID 2901433
1-[(3-chloro-4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 22208128
3-(4-benzylpiperazine-1-carbonyl)-5-methylbenzenesulfonamide
CID 110678069
4-(4-benzylpiperazine-1-carbonyl)thiophene-2-sulfonamide
CID 39191268
(4-benzylpiperazin-1-yl)-(4-propan-2-ylsulfonylphenyl)methanone
CID 55752420
4-benzyl-N-[2-(2,4-dichlorophenyl)ethanehydrazonoyl]iminopiperazine-1-carboxamide
CID 70972589
1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 17023784

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide?
The IUPAC name of 4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide (CID 46256500) is 4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide.
What is the SMILES notation for 4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide?
The canonical SMILES for 4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide is N/C(=N/S(=O)(=O)c1ccc2ccccc2c1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide?
The InChIKey is YHTPPDATIJHHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c23-22(26-14-12-25(13-15-26)17-18-6-2-1-3-7-18)24-29(27,28)21-11-10-19-8-4-5-9-20(19)16-21/h1-11,16H,12-15,17H2,(H2,23,24).
What are the key properties of 4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide?
4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide has a molecular weight of 408.53 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N'-naphthalen-2-ylsulfonylpiperazine-1-carboximidamide is sourced from PubChem (CID 46256500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).