N-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine

C11H16N2O3S — CID 57019405

IUPACN-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine
SMILESCc1ccc(S(=O)(=O)CCCC=NNO)cc1
InChIInChI=1S/C11H16N2O3S/c1-10-4-6-11(7-5-10)17(15,16)9-3-2-8-12-13-14/h4-8,13-14H,2-3,9H2,1H3
InChIKeyKIZMYFZOPVMKIA-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.51
Rot. Bonds6

About N-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine

N-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine (PubChem CID 57019405) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine
PubChem CID57019405
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine
SMILESCc1ccc(S(=O)(=O)CCCC=NNO)cc1
InChIInChI=1S/C11H16N2O3S/c1-10-4-6-11(7-5-10)17(15,16)9-3-2-8-12-13-14/h4-8,13-14H,2-3,9H2,1H3
InChIKeyKIZMYFZOPVMKIA-UHFFFAOYSA-N
XLogP1.51
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine?
The IUPAC name of N-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine (CID 57019405) is N-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine.
What is the SMILES notation for N-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine?
The canonical SMILES for N-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine is Cc1ccc(S(=O)(=O)CCCC=NNO)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine?
The InChIKey is KIZMYFZOPVMKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-10-4-6-11(7-5-10)17(15,16)9-3-2-8-12-13-14/h4-8,13-14H,2-3,9H2,1H3.
What are the key properties of N-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine?
N-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine has a molecular weight of 256.33 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)sulfonylbutylideneamino]hydroxylamine is sourced from PubChem (CID 57019405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).