N-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide

C21H20N2O2S — CID 87246771

IUPACN-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/C(=C(\N)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,23H,22H2,1H3/b21-20-
InChIKeyBEMRQAALSGVBQA-MRCUWXFGSA-N
MW364.47 g/mol
LogP3.76
Rot. Bonds5

About N-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide

N-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide (PubChem CID 87246771) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide
PubChem CID87246771
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/C(=C(\N)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,23H,22H2,1H3/b21-20-
InChIKeyBEMRQAALSGVBQA-MRCUWXFGSA-N
XLogP3.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide (CID 87246771) is N-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N/C(=C(\N)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide?
The InChIKey is BEMRQAALSGVBQA-MRCUWXFGSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,23H,22H2,1H3/b21-20-.
What are the key properties of N-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide?
N-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide has a molecular weight of 364.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-amino-1,2-diphenylethenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 87246771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).