N'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide

C20H17BrN2O2S — CID 2945051

IUPACN'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide
SMILESO=S(=O)(N/C(=N/Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C20H17BrN2O2S/c21-18-11-13-19(14-12-18)26(24,25)23-20(17-9-5-2-6-10-17)22-15-16-7-3-1-4-8-16/h1-14H,15H2,(H,22,23)
InChIKeyYDCBHSHSEZTVQE-UHFFFAOYSA-N
MW429.34 g/mol
LogP4.37
Rot. Bonds5

About N'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide

N'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide (PubChem CID 2945051) has the molecular formula C20H17BrN2O2S and a molecular weight of 429.34 g/mol. Its IUPAC name is N'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide
PubChem CID2945051
Molecular FormulaC20H17BrN2O2S
Molecular Weight429.34 g/mol
Exact Mass428.02
IUPAC NameN'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide
SMILESO=S(=O)(N/C(=N/Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C20H17BrN2O2S/c21-18-11-13-19(14-12-18)26(24,25)23-20(17-9-5-2-6-10-17)22-15-16-7-3-1-4-8-16/h1-14H,15H2,(H,22,23)
InChIKeyYDCBHSHSEZTVQE-UHFFFAOYSA-N
XLogP4.37
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.34
LogP ≤ 54.37
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 N'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide?
The IUPAC name of N'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide (CID 2945051) is N'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide.
What is the SMILES notation for N'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide?
The canonical SMILES for N'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide is O=S(=O)(N/C(=N/Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide?
The InChIKey is YDCBHSHSEZTVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O2S/c21-18-11-13-19(14-12-18)26(24,25)23-20(17-9-5-2-6-10-17)22-15-16-7-3-1-4-8-16/h1-14H,15H2,(H,22,23).
What are the key properties of N'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide?
N'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide has a molecular weight of 429.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(4-bromophenyl)sulfonylbenzenecarboximidamide is sourced from PubChem (CID 2945051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).