N-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide

C22H21NO2S — CID 11089800

IUPACN-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2S/c1-18-12-15-21(16-13-18)26(24,25)23-22(20-10-6-3-7-11-20)17-14-19-8-4-2-5-9-19/h2-17,22-23H,1H3/b17-14+
InChIKeyKGCFBHREBXOKFW-SAPNQHFASA-N
MW363.48 g/mol
LogP4.73
Rot. Bonds6

About N-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide

N-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide (PubChem CID 11089800) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is N-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide
PubChem CID11089800
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC NameN-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H21NO2S/c1-18-12-15-21(16-13-18)26(24,25)23-22(20-10-6-3-7-11-20)17-14-19-8-4-2-5-9-19/h2-17,22-23H,1H3/b17-14+
InChIKeyKGCFBHREBXOKFW-SAPNQHFASA-N
XLogP4.73
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide (CID 11089800) is N-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(/C=C/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide?
The InChIKey is KGCFBHREBXOKFW-SAPNQHFASA-N. The full InChI is InChI=1S/C22H21NO2S/c1-18-12-15-21(16-13-18)26(24,25)23-22(20-10-6-3-7-11-20)17-14-19-8-4-2-5-9-19/h2-17,22-23H,1H3/b17-14+.
What are the key properties of N-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide?
N-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-diphenylprop-2-enyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11089800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).