N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide

C17H11ClFNO2S2 — CID 3445264

IUPACN-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide
SMILESO=S(=O)(N=C(c1ccccc1F)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C17H11ClFNO2S2/c18-14-8-3-1-6-12(14)17(13-7-2-4-9-15(13)19)20-24(21,22)16-10-5-11-23-16/h1-11H
InChIKeyQUYMCRHVIAVYPN-UHFFFAOYSA-N
MW379.87 g/mol
LogP4.77
Rot. Bonds4

About N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide

N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide (PubChem CID 3445264) has the molecular formula C17H11ClFNO2S2 and a molecular weight of 379.87 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide
PubChem CID3445264
Molecular FormulaC17H11ClFNO2S2
Molecular Weight379.87 g/mol
Exact Mass378.99
IUPAC NameN-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide
SMILESO=S(=O)(N=C(c1ccccc1F)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C17H11ClFNO2S2/c18-14-8-3-1-6-12(14)17(13-7-2-4-9-15(13)19)20-24(21,22)16-10-5-11-23-16/h1-11H
InChIKeyQUYMCRHVIAVYPN-UHFFFAOYSA-N
XLogP4.77
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1E)-2-chloro-N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride
CID 18871859
N-benzhydrylidenethiophene-2-sulfonamide
CID 176730447
N-thiophen-2-ylsulfonylbenzenecarboximidoyl chloride
CID 3688340
methyl N'-thiophen-2-ylsulfonylcarbamimidate
CID 74002349
2-chloro-N-thiophen-2-ylsulfonylbenzamide
CID 975839
N-sulfonylthiophene-2-sulfonamide
CID 88522112
N,N-dimethyl-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
CID 75459336
(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9086144
(3R)-N'-(2-fluorobenzoyl)-1-thiophen-2-ylsulfonylpiperidine-3-carbohydrazide
CID 9084777
(2-chloro-6-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 4801929
1-(2-fluorophenyl)sulfonyl-4-thiophen-2-ylsulfonylpiperazine
CID 51169067
2-chloro-N-[2-[[4-(thiophen-2-ylsulfonylamino)benzoyl]amino]ethyl]benzamide
CID 55659204

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide?
The IUPAC name of N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide (CID 3445264) is N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide is O=S(=O)(N=C(c1ccccc1F)c1ccccc1Cl)c1cccs1.
What is the InChIKey of N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide?
The InChIKey is QUYMCRHVIAVYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO2S2/c18-14-8-3-1-6-12(14)17(13-7-2-4-9-15(13)19)20-24(21,22)16-10-5-11-23-16/h1-11H.
What are the key properties of N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide?
N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide has a molecular weight of 379.87 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(2-fluorophenyl)methylidene]thiophene-2-sulfonamide is sourced from PubChem (CID 3445264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).