4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide

C11H7Cl3N2O2S2 — CID 2805399

IUPAC4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide
SMILESNC(=NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H7Cl3N2O2S2/c12-7-3-1-6(2-4-7)11(15)16-20(17,18)8-5-9(13)19-10(8)14/h1-5H,(H2,15,16)
InChIKeyQSSFTTZHIKNXBW-UHFFFAOYSA-N
MW369.68 g/mol
LogP3.80
Rot. Bonds3

About 4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide

4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide (PubChem CID 2805399) has the molecular formula C11H7Cl3N2O2S2 and a molecular weight of 369.68 g/mol. Its IUPAC name is 4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide
PubChem CID2805399
Molecular FormulaC11H7Cl3N2O2S2
Molecular Weight369.68 g/mol
Exact Mass367.90
IUPAC Name4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide
SMILESNC(=NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C11H7Cl3N2O2S2/c12-7-3-1-6(2-4-7)11(15)16-20(17,18)8-5-9(13)19-10(8)14/h1-5H,(H2,15,16)
InChIKeyQSSFTTZHIKNXBW-UHFFFAOYSA-N
XLogP3.80
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.68
LogP ≤ 53.80
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide?
The IUPAC name of 4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide (CID 2805399) is 4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide is NC(=NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide?
The InChIKey is QSSFTTZHIKNXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl3N2O2S2/c12-7-3-1-6(2-4-7)11(15)16-20(17,18)8-5-9(13)19-10(8)14/h1-5H,(H2,15,16).
What are the key properties of 4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide?
4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide has a molecular weight of 369.68 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(2,5-dichlorothiophen-3-yl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 2805399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).