N-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide

C10H12ClFN2OS — CID 167527078

IUPACN-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1cncc(F)c1Cl
InChIInChI=1S/C10H12ClFN2OS/c1-10(2,3)16(15)14-5-7-4-13-6-8(12)9(7)11/h4-6H,1-3H3
InChIKeyQOPWVVLWSGSYCY-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.76
Rot. Bonds2

About N-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide

N-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 167527078) has the molecular formula C10H12ClFN2OS and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID167527078
Molecular FormulaC10H12ClFN2OS
Molecular Weight262.74 g/mol
Exact Mass262.03
IUPAC NameN-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)N=Cc1cncc(F)c1Cl
InChIInChI=1S/C10H12ClFN2OS/c1-10(2,3)16(15)14-5-7-4-13-6-8(12)9(7)11/h4-6H,1-3H3
InChIKeyQOPWVVLWSGSYCY-UHFFFAOYSA-N
XLogP2.76
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(S)-N-[(4-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 70993658
N-[(2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 102282577
(NE)-N-[(3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 89405877
(S)-N-[(4-bromo-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 138111436
(S)-N-[(2-fluoro-4-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530933
(R)-N-[(2,6-dichloroquinolin-3-yl)methylidene]-2-methylpropane-2-sulfinamide
CID 118953601
(R)-2-methyl-N-[[4-(2,2,2-trifluoroethyl)-3-pyridinyl]methylidene]propane-2-sulfinamide
CID 150020885
(R)-N-[(5-chloro-2-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 138110985
(S)-N-[(4,5-difluoro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 150591949
(NE,S)-N-[(3-bromo-4-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide
CID 163337443
(R)-N-[(3-fluoro-2-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167713018
(R)-N-[(5-bromo-3-chloro-2-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 160752520

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide (CID 167527078) is N-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N=Cc1cncc(F)c1Cl.
What is the InChIKey of N-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is QOPWVVLWSGSYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2OS/c1-10(2,3)16(15)14-5-7-4-13-6-8(12)9(7)11/h4-6H,1-3H3.
What are the key properties of N-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide?
N-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 262.74 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-5-fluoro-3-pyridinyl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 167527078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).