N'-(benzenesulfonyl)benzenecarboximidamide

C13H12N2O2S — CID 555734

IUPACN'-(benzenesulfonyl)benzenecarboximidamide
SMILESNC(=NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12N2O2S/c14-13(11-7-3-1-4-8-11)15-18(16,17)12-9-5-2-6-10-12/h1-10H,(H2,14,15)
InChIKeyLPXRFQYPABSWTF-UHFFFAOYSA-N
MW260.32 g/mol
LogP1.78
Rot. Bonds3

About N'-(benzenesulfonyl)benzenecarboximidamide

N'-(benzenesulfonyl)benzenecarboximidamide (PubChem CID 555734) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is N'-(benzenesulfonyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)benzenecarboximidamide
PubChem CID555734
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC NameN'-(benzenesulfonyl)benzenecarboximidamide
SMILESNC(=NS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12N2O2S/c14-13(11-7-3-1-4-8-11)15-18(16,17)12-9-5-2-6-10-12/h1-10H,(H2,14,15)
InChIKeyLPXRFQYPABSWTF-UHFFFAOYSA-N
XLogP1.78
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N'-(benzenesulfonyl)benzenecarboximidamide?
The IUPAC name of N'-(benzenesulfonyl)benzenecarboximidamide (CID 555734) is N'-(benzenesulfonyl)benzenecarboximidamide.
What is the SMILES notation for N'-(benzenesulfonyl)benzenecarboximidamide?
The canonical SMILES for N'-(benzenesulfonyl)benzenecarboximidamide is NC(=NS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(benzenesulfonyl)benzenecarboximidamide?
The InChIKey is LPXRFQYPABSWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c14-13(11-7-3-1-4-8-11)15-18(16,17)12-9-5-2-6-10-12/h1-10H,(H2,14,15).
What are the key properties of N'-(benzenesulfonyl)benzenecarboximidamide?
N'-(benzenesulfonyl)benzenecarboximidamide has a molecular weight of 260.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)benzenecarboximidamide is sourced from PubChem (CID 555734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).