N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide

C14H16ClF3N2O3S — CID 162355625

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide
SMILESCON=C1CCCCC1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O3S/c1-23-19-12-4-2-3-5-13(12)24(21,22)20-11-7-6-9(15)8-10(11)14(16,17)18/h6-8,13,20H,2-5H2,1H3
InChIKeyPKINVBOPGHSJGL-UHFFFAOYSA-N
MW384.81 g/mol
LogP4.05
Rot. Bonds4

About N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide (PubChem CID 162355625) has the molecular formula C14H16ClF3N2O3S and a molecular weight of 384.81 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide
PubChem CID162355625
Molecular FormulaC14H16ClF3N2O3S
Molecular Weight384.81 g/mol
Exact Mass384.05
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide
SMILESCON=C1CCCCC1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O3S/c1-23-19-12-4-2-3-5-13(12)24(21,22)20-11-7-6-9(15)8-10(11)14(16,17)18/h6-8,13,20H,2-5H2,1H3
InChIKeyPKINVBOPGHSJGL-UHFFFAOYSA-N
XLogP4.05
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.81
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3,5-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5005138
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3761633
N-[4-(aminomethyl)-2-(trifluoromethyl)phenyl]cyclopentanesulfonamide
CID 105360475
4-chloro-N-(2,2-dimethoxyethyl)-2-(trifluoromethyl)aniline
CID 63686793
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22201415
methyl (E)-3-[4-chloro-2-(trifluoromethyl)anilino]prop-2-enoate
CID 103233172
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60911752
4-butan-2-yl-N-[4-chloro-2-(trifluoromethyl)phenyl]benzenesulfonamide
CID 22201407
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[cyclopropyl(methylsulfonyl)amino]propanamide
CID 113136419
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45372513
N'-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2,2-dimethoxyethyl)oxamide
CID 108530055
N-(4-chloro-2-fluorophenyl)-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 60585547

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide (CID 162355625) is N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide is CON=C1CCCCC1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide?
The InChIKey is PKINVBOPGHSJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O3S/c1-23-19-12-4-2-3-5-13(12)24(21,22)20-11-7-6-9(15)8-10(11)14(16,17)18/h6-8,13,20H,2-5H2,1H3.
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide has a molecular weight of 384.81 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxyiminocyclohexane-1-sulfonamide is sourced from PubChem (CID 162355625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).