N-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine

C12H15ClN2O3S — CID 78091242

IUPACN-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine
SMILESCc1ccc(S(=O)(=O)N2CCC(Cl)C(=NO)C2)cc1
InChIInChI=1S/C12H15ClN2O3S/c1-9-2-4-10(5-3-9)19(17,18)15-7-6-11(13)12(8-15)14-16/h2-5,11,16H,6-8H2,1H3
InChIKeyRZQIGZIVMBMVRG-UHFFFAOYSA-N
MW302.78 g/mol
LogP1.83
Rot. Bonds2

About N-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine

N-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine (PubChem CID 78091242) has the molecular formula C12H15ClN2O3S and a molecular weight of 302.78 g/mol. Its IUPAC name is N-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine
PubChem CID78091242
Molecular FormulaC12H15ClN2O3S
Molecular Weight302.78 g/mol
Exact Mass302.05
IUPAC NameN-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine
SMILESCc1ccc(S(=O)(=O)N2CCC(Cl)C(=NO)C2)cc1
InChIInChI=1S/C12H15ClN2O3S/c1-9-2-4-10(5-3-9)19(17,18)15-7-6-11(13)12(8-15)14-16/h2-5,11,16H,6-8H2,1H3
InChIKeyRZQIGZIVMBMVRG-UHFFFAOYSA-N
XLogP1.83
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608
(3S,4R)-3-(2-hydroxypropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 139089883
(3S,4R)-3-(2-chloropropan-2-yl)-1-(4-methylphenyl)sulfonylpiperidin-4-ol
CID 102179755
(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962425
2-[1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]ethanol
CID 102077480
(3R)-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-ylpyrrolidine
CID 134851908
3-methoxy-1-(4-methylphenyl)sulfonylpyrrolidine
CID 108781063
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
(1R,6S)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.2.0]octan-8-one
CID 22862094
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine?
The IUPAC name of N-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine (CID 78091242) is N-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine?
The canonical SMILES for N-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine is Cc1ccc(S(=O)(=O)N2CCC(Cl)C(=NO)C2)cc1.
What is the InChIKey of N-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine?
The InChIKey is RZQIGZIVMBMVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O3S/c1-9-2-4-10(5-3-9)19(17,18)15-7-6-11(13)12(8-15)14-16/h2-5,11,16H,6-8H2,1H3.
What are the key properties of N-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine?
N-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine has a molecular weight of 302.78 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-(4-methylphenyl)sulfonylpiperidin-3-ylidene]hydroxylamine is sourced from PubChem (CID 78091242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).