N'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide

C24H27N5O4S — CID 10906977

IUPACN'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H27N5O4S/c25-23(26-31)20-10-8-18(9-11-20)17-29(24(30)28-14-4-1-5-15-28)27-34(32,33)22-13-12-19-6-2-3-7-21(19)16-22/h2-3,6-13,16,27,31H,1,4-5,14-15,17H2,(H2,25,26)
InChIKeySAIGVFQIHXWUBA-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.24
Rot. Bonds6

About N'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide

N'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide (PubChem CID 10906977) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is N'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide
PubChem CID10906977
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC NameN'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H27N5O4S/c25-23(26-31)20-10-8-18(9-11-20)17-29(24(30)28-14-4-1-5-15-28)27-34(32,33)22-13-12-19-6-2-3-7-21(19)16-22/h2-3,6-13,16,27,31H,1,4-5,14-15,17H2,(H2,25,26)
InChIKeySAIGVFQIHXWUBA-UHFFFAOYSA-N
XLogP3.24
TPSA128.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[azepane-1-carbonyl-(naphthalen-2-ylsulfonylamino)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 90783131
N-[(4-cyanophenyl)methyl]-N'-naphthalen-2-ylsulfonylpiperidine-1-carbohydrazide
CID 11037691
3-[[azepane-1-carbonyl-[(6-methoxynaphthalen-2-yl)sulfonylamino]amino]methyl]benzenecarboximidamide;3-[[azepane-1-carbonyl-[(6-methoxynaphthalen-2-yl)sulfonylamino]amino]methyl]-N'-hydroxybenzenecarboximidamide;hydrochloride
CID 173203176
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]naphthalene-2-sulfonamide
CID 8573229
1-[[4-(aminomethyl)phenyl]methyl]-3-cycloheptyl-1-(naphthalen-2-ylsulfonylamino)urea;hydrochloride
CID 11318305
4-[2-(azocan-1-yl)-2-oxoethyl]-N'-hydroxybenzenecarboximidamide
CID 77000979
4-[2-(azepan-1-yl)-2-oxoethyl]-N'-hydroxybenzenecarboximidamide
CID 77001717
N-[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide
CID 4406
N'-hydroxy-4-[(2R)-2-methyl-3-oxo-3-piperidin-1-ylpropyl]benzenecarboximidamide
CID 91311863
3-[[amino(azepane-1-carbonyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 142150262
N-carbamimidoyl-2-(naphthalen-2-ylsulfonylamino)-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]acetamide
CID 18643772
N-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[2-(naphthalen-2-ylsulfonylamino)ethylamino]acetamide
CID 102304009

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide (CID 10906977) is N'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide is N/C(=N\O)c1ccc(CN(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCC2)cc1.
What is the InChIKey of N'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide?
The InChIKey is SAIGVFQIHXWUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c25-23(26-31)20-10-8-18(9-11-20)17-29(24(30)28-14-4-1-5-15-28)27-34(32,33)22-13-12-19-6-2-3-7-21(19)16-22/h2-3,6-13,16,27,31H,1,4-5,14-15,17H2,(H2,25,26).
What are the key properties of N'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide?
N'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide has a molecular weight of 481.58 g/mol, XLogP of 3.24, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[[(naphthalen-2-ylsulfonylamino)-(piperidine-1-carbonyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 10906977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).