N-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide

C15H10BrClN2O2S — CID 68944942

IUPACN-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide
SMILESN#CC(=Cc1ccc(Cl)cc1)S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H10BrClN2O2S/c16-12-3-7-14(8-4-12)19-22(20,21)15(10-18)9-11-1-5-13(17)6-2-11/h1-9,19H
InChIKeyHHZNFFAGCGJRLF-UHFFFAOYSA-N
MW397.68 g/mol
LogP4.41
Rot. Bonds4

About N-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide

N-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide (PubChem CID 68944942) has the molecular formula C15H10BrClN2O2S and a molecular weight of 397.68 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide
PubChem CID68944942
Molecular FormulaC15H10BrClN2O2S
Molecular Weight397.68 g/mol
Exact Mass395.93
IUPAC NameN-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide
SMILESN#CC(=Cc1ccc(Cl)cc1)S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H10BrClN2O2S/c16-12-3-7-14(8-4-12)19-22(20,21)15(10-18)9-11-1-5-13(17)6-2-11/h1-9,19H
InChIKeyHHZNFFAGCGJRLF-UHFFFAOYSA-N
XLogP4.41
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.68
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide?
The IUPAC name of N-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide (CID 68944942) is N-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide is N#CC(=Cc1ccc(Cl)cc1)S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide?
The InChIKey is HHZNFFAGCGJRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O2S/c16-12-3-7-14(8-4-12)19-22(20,21)15(10-18)9-11-1-5-13(17)6-2-11/h1-9,19H.
What are the key properties of N-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide?
N-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide has a molecular weight of 397.68 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide is sourced from PubChem (CID 68944942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).