2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide

C18H14Cl2N2O2S2 — CID 2983475

IUPAC2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESO=S(=O)(N/C(=N\Cc1ccccc1Cl)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C18H14Cl2N2O2S2/c19-15-8-3-1-6-13(15)12-21-18(14-7-2-4-9-16(14)20)22-26(23,24)17-10-5-11-25-17/h1-11H,12H2,(H,21,22)
InChIKeyMWWLULRNPBUNMF-UHFFFAOYSA-N
MW425.36 g/mol
LogP4.98
Rot. Bonds5

About 2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide

2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide (PubChem CID 2983475) has the molecular formula C18H14Cl2N2O2S2 and a molecular weight of 425.36 g/mol. Its IUPAC name is 2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide
PubChem CID2983475
Molecular FormulaC18H14Cl2N2O2S2
Molecular Weight425.36 g/mol
Exact Mass423.99
IUPAC Name2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide
SMILESO=S(=O)(N/C(=N\Cc1ccccc1Cl)c1ccccc1Cl)c1cccs1
InChIInChI=1S/C18H14Cl2N2O2S2/c19-15-8-3-1-6-13(15)12-21-18(14-7-2-4-9-16(14)20)22-26(23,24)17-10-5-11-25-17/h1-11H,12H2,(H,21,22)
InChIKeyMWWLULRNPBUNMF-UHFFFAOYSA-N
XLogP4.98
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The IUPAC name of 2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide (CID 2983475) is 2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide is O=S(=O)(N/C(=N\Cc1ccccc1Cl)c1ccccc1Cl)c1cccs1.
What is the InChIKey of 2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
The InChIKey is MWWLULRNPBUNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2S2/c19-15-8-3-1-6-13(15)12-21-18(14-7-2-4-9-16(14)20)22-26(23,24)17-10-5-11-25-17/h1-11H,12H2,(H,21,22).
What are the key properties of 2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide?
2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide has a molecular weight of 425.36 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[(2-chlorophenyl)methyl]-N-thiophen-2-ylsulfonylbenzenecarboximidamide is sourced from PubChem (CID 2983475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).