N-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide

C24H25NO2S — CID 71623179

IUPACN-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide
SMILESC=CCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO2S/c1-3-7-21-12-14-23(15-13-21)19-25(18-22-8-5-4-6-9-22)28(26,27)24-16-10-20(2)11-17-24/h3-6,8-17H,1,7,18-19H2,2H3
InChIKeyBWFBBNSMRNYSMB-UHFFFAOYSA-N
MW391.54 g/mol
LogP5.11
Rot. Bonds8

About N-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide

N-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide (PubChem CID 71623179) has the molecular formula C24H25NO2S and a molecular weight of 391.54 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide
PubChem CID71623179
Molecular FormulaC24H25NO2S
Molecular Weight391.54 g/mol
Exact Mass391.16
IUPAC NameN-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide
SMILESC=CCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25NO2S/c1-3-7-21-12-14-23(15-13-21)19-25(18-22-8-5-4-6-9-22)28(26,27)24-16-10-20(2)11-17-24/h3-6,8-17H,1,7,18-19H2,2H3
InChIKeyBWFBBNSMRNYSMB-UHFFFAOYSA-N
XLogP5.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.54
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide (CID 71623179) is N-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide is C=CCc1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide?
The InChIKey is BWFBBNSMRNYSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO2S/c1-3-7-21-12-14-23(15-13-21)19-25(18-22-8-5-4-6-9-22)28(26,27)24-16-10-20(2)11-17-24/h3-6,8-17H,1,7,18-19H2,2H3.
What are the key properties of N-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide?
N-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide has a molecular weight of 391.54 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-[(4-prop-2-enylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 71623179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).