N-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide

C22H20N2O4S — CID 89147171

IUPACN-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide
SMILESCCN(Cc1cc(C=O)ccc1-c1ccccc1)S(=O)(=O)c1ccccc1N=O
InChIInChI=1S/C22H20N2O4S/c1-2-24(29(27,28)22-11-7-6-10-21(22)23-26)15-19-14-17(16-25)12-13-20(19)18-8-4-3-5-9-18/h3-14,16H,2,15H2,1H3
InChIKeyALWORINDUUMUEE-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.77
Rot. Bonds8

About N-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide

N-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide (PubChem CID 89147171) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide
PubChem CID89147171
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC NameN-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide
SMILESCCN(Cc1cc(C=O)ccc1-c1ccccc1)S(=O)(=O)c1ccccc1N=O
InChIInChI=1S/C22H20N2O4S/c1-2-24(29(27,28)22-11-7-6-10-21(22)23-26)15-19-14-17(16-25)12-13-20(19)18-8-4-3-5-9-18/h3-14,16H,2,15H2,1H3
InChIKeyALWORINDUUMUEE-UHFFFAOYSA-N
XLogP4.77
TPSA83.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide?
The IUPAC name of N-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide (CID 89147171) is N-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide.
What is the SMILES notation for N-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide?
The canonical SMILES for N-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide is CCN(Cc1cc(C=O)ccc1-c1ccccc1)S(=O)(=O)c1ccccc1N=O.
What is the InChIKey of N-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide?
The InChIKey is ALWORINDUUMUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-2-24(29(27,28)22-11-7-6-10-21(22)23-26)15-19-14-17(16-25)12-13-20(19)18-8-4-3-5-9-18/h3-14,16H,2,15H2,1H3.
What are the key properties of N-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide?
N-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide has a molecular weight of 408.48 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-formyl-2-phenylphenyl)methyl]-2-nitrosobenzenesulfonamide is sourced from PubChem (CID 89147171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).