N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine

C11H13BrN2O3S — CID 24695757

IUPACN-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(=NO)CC1
InChIInChI=1S/C11H13BrN2O3S/c12-9-1-3-11(4-2-9)18(16,17)14-7-5-10(13-15)6-8-14/h1-4,15H,5-8H2
InChIKeyLLODMDHCYKMMQD-UHFFFAOYSA-N
MW333.21 g/mol
LogP2.06
Rot. Bonds2

About N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine

N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine (PubChem CID 24695757) has the molecular formula C11H13BrN2O3S and a molecular weight of 333.21 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
PubChem CID24695757
Molecular FormulaC11H13BrN2O3S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC NameN-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCC(=NO)CC1
InChIInChI=1S/C11H13BrN2O3S/c12-9-1-3-11(4-2-9)18(16,17)14-7-5-10(13-15)6-8-14/h1-4,15H,5-8H2
InChIKeyLLODMDHCYKMMQD-UHFFFAOYSA-N
XLogP2.06
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(NE)-N-[1-(4-bromophenyl)sulfonyl-3-methylpiperidin-4-ylidene]hydroxylamine
CID 114500965
N-[1-(3-methylphenyl)sulfonylpiperidin-4-ylidene]hydroxylamine
CID 24702246
4-(4-bromophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 22503089
1-(4-bromophenyl)sulfonyl-4-methyl-3,6-dihydro-2H-pyridine
CID 115767029
1-(4-bromophenyl)sulfonyl-4-methylpiperidine
CID 3118654
1-(4-bromophenyl)sulfonylpiperidine-4-carboxylic acid
CID 737843
[4-(4-bromophenyl)sulfonylpiperazin-1-yl] 2,2-dimethylpropanoate
CID 174624537
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
1-(4-bromophenyl)sulfonyl-4-(3,4-dihydronaphthalen-2-ylsulfonyl)piperazine
CID 39911934
1-(4-bromophenyl)sulfonyl-N'-hydroxypiperidine-3-carboximidamide
CID 77041493
3-(bromomethyl)-1-(4-bromophenyl)sulfonylpyrrolidine
CID 80675386
4-[4-(4-bromophenoxy)phenyl]sulfonylmorpholine
CID 1257549

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The IUPAC name of N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine (CID 24695757) is N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The canonical SMILES for N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine is O=S(=O)(c1ccc(Br)cc1)N1CCC(=NO)CC1.
What is the InChIKey of N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine?
The InChIKey is LLODMDHCYKMMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3S/c12-9-1-3-11(4-2-9)18(16,17)14-7-5-10(13-15)6-8-14/h1-4,15H,5-8H2.
What are the key properties of N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine?
N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine has a molecular weight of 333.21 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)sulfonylpiperidin-4-ylidene]hydroxylamine is sourced from PubChem (CID 24695757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).