(Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine

C15H12ClF3N2O3S — CID 40512676

IUPAC(Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine
SMILESCO/N=C\[C@@H](c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12ClF3N2O3S/c1-24-21-9-13(25(22,23)11-5-3-2-4-6-11)14-12(16)7-10(8-20-14)15(17,18)19/h2-9,13H,1H3/b21-9-/t13-/m0/s1
InChIKeyJINIHYZPNZXVIJ-YOZVVDKVSA-N
MW392.79 g/mol
LogP3.90
Rot. Bonds5

About (Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine

(Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine (PubChem CID 40512676) has the molecular formula C15H12ClF3N2O3S and a molecular weight of 392.79 g/mol. Its IUPAC name is (Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine.

Molecular Properties

Compound Name(Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine
PubChem CID40512676
Molecular FormulaC15H12ClF3N2O3S
Molecular Weight392.79 g/mol
Exact Mass392.02
IUPAC Name(Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine
SMILESCO/N=C\[C@@H](c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12ClF3N2O3S/c1-24-21-9-13(25(22,23)11-5-3-2-4-6-11)14-12(16)7-10(8-20-14)15(17,18)19/h2-9,13H,1H3/b21-9-/t13-/m0/s1
InChIKeyJINIHYZPNZXVIJ-YOZVVDKVSA-N
XLogP3.90
TPSA68.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.79
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(benzenesulfonylmethyl)-3-chloro-5-(trifluoromethyl)pyridine
CID 1475890
(E)-1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-N-methoxymethanimine
CID 43811221
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine
CID 3803727
3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine
CID 18327281
(NZ)-N-[(2R)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylethylidene]hydroxylamine
CID 7097470
[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-(4-methoxyphenyl)methanol
CID 4522761
3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
CID 138603693
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
[4-[(R)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-cyanomethyl]phenyl] methanesulfonate
CID 40542936
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 141280156
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-(methoxyiminomethyl)urea
CID 135426551
5-[(1R)-1-(benzenesulfonyl)ethyl]-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-ethyl-1H-imidazol-2-one
CID 1482683

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine?
The IUPAC name of (Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine (CID 40512676) is (Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine.
What is the SMILES notation for (Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine?
The canonical SMILES for (Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine is CO/N=C\[C@@H](c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccccc1.
What is the InChIKey of (Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine?
The InChIKey is JINIHYZPNZXVIJ-YOZVVDKVSA-N. The full InChI is InChI=1S/C15H12ClF3N2O3S/c1-24-21-9-13(25(22,23)11-5-3-2-4-6-11)14-12(16)7-10(8-20-14)15(17,18)19/h2-9,13H,1H3/b21-9-/t13-/m0/s1.
What are the key properties of (Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine?
(Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine has a molecular weight of 392.79 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-(benzenesulfonyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxyethanimine is sourced from PubChem (CID 40512676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).