N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide

C18H13F2NO2S2 — CID 170338972

IUPACN-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2cc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C18H13F2NO2S2/c1-12-2-5-16(6-3-12)25(22,23)21-10-15-8-13(11-24-15)17-7-4-14(19)9-18(17)20/h2-11H,1H3
InChIKeyRJFJNMNYAPYGCG-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.81
Rot. Bonds4

About N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide

N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide (PubChem CID 170338972) has the molecular formula C18H13F2NO2S2 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide
PubChem CID170338972
Molecular FormulaC18H13F2NO2S2
Molecular Weight377.44 g/mol
Exact Mass377.04
IUPAC NameN-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=Cc2cc(-c3ccc(F)cc3F)cs2)cc1
InChIInChI=1S/C18H13F2NO2S2/c1-12-2-5-16(6-3-12)25(22,23)21-10-15-8-13(11-24-15)17-7-4-14(19)9-18(17)20/h2-11H,1H3
InChIKeyRJFJNMNYAPYGCG-UHFFFAOYSA-N
XLogP4.81
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide (CID 170338972) is N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N=Cc2cc(-c3ccc(F)cc3F)cs2)cc1.
What is the InChIKey of N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide?
The InChIKey is RJFJNMNYAPYGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO2S2/c1-12-2-5-16(6-3-12)25(22,23)21-10-15-8-13(11-24-15)17-7-4-14(19)9-18(17)20/h2-11H,1H3.
What are the key properties of N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide?
N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide has a molecular weight of 377.44 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-difluorophenyl)thiophen-2-yl]methylidene]-4-methylbenzenesulfonamide is sourced from PubChem (CID 170338972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).