2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide

C11H9ClN2O2S2 — CID 3701630

IUPAC2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESNC(=NS(=O)(=O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C11H9ClN2O2S2/c12-9-5-2-1-4-8(9)11(13)14-18(15,16)10-6-3-7-17-10/h1-7H,(H2,13,14)
InChIKeyVTCLMISBGFGWLZ-UHFFFAOYSA-N
MW300.79 g/mol
LogP2.50
Rot. Bonds3

About 2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide

2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide (PubChem CID 3701630) has the molecular formula C11H9ClN2O2S2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
PubChem CID3701630
Molecular FormulaC11H9ClN2O2S2
Molecular Weight300.79 g/mol
Exact Mass299.98
IUPAC Name2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESNC(=NS(=O)(=O)c1cccs1)c1ccccc1Cl
InChIInChI=1S/C11H9ClN2O2S2/c12-9-5-2-1-4-8(9)11(13)14-18(15,16)10-6-3-7-17-10/h1-7H,(H2,13,14)
InChIKeyVTCLMISBGFGWLZ-UHFFFAOYSA-N
XLogP2.50
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
The IUPAC name of 2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide (CID 3701630) is 2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is NC(=NS(=O)(=O)c1cccs1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
The InChIKey is VTCLMISBGFGWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2S2/c12-9-5-2-1-4-8(9)11(13)14-18(15,16)10-6-3-7-17-10/h1-7H,(H2,13,14).
What are the key properties of 2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide?
2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide has a molecular weight of 300.79 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-thiophen-2-ylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 3701630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).