N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide

C23H23NO2S — CID 72966793

IUPACN-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide
SMILESC=CC(c1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H23NO2S/c1-3-23(21-12-8-5-9-13-21)24(18-20-10-6-4-7-11-20)27(25,26)22-16-14-19(2)15-17-22/h3-17,23H,1,18H2,2H3
InChIKeyBKHWIULOQLLLIK-UHFFFAOYSA-N
MW377.51 g/mol
LogP5.11
Rot. Bonds7

About N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide

N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide (PubChem CID 72966793) has the molecular formula C23H23NO2S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide
PubChem CID72966793
Molecular FormulaC23H23NO2S
Molecular Weight377.51 g/mol
Exact Mass377.14
IUPAC NameN-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide
SMILESC=CC(c1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H23NO2S/c1-3-23(21-12-8-5-9-13-21)24(18-20-10-6-4-7-11-20)27(25,26)22-16-14-19(2)15-17-22/h3-17,23H,1,18H2,2H3
InChIKeyBKHWIULOQLLLIK-UHFFFAOYSA-N
XLogP5.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.51
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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Related Compounds

N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide
CID 23726775
4-methyl-N-[(2S)-1-phenylmethoxybut-3-en-2-yl]-N-[(1S)-1-phenylprop-2-enyl]benzenesulfonamide
CID 101056784
N-benzyl-4-methyl-N-(3-methyl-1-phenylbut-3-en-2-yl)benzenesulfonamide
CID 14811520
(2S)-2-[benzyl-(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 11825728
N-benzyl-N-[(1Z)-2-chlorobuta-1,3-dienyl]-4-methylbenzenesulfonamide
CID 134875223
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide
CID 11223942
N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 56647729
N-benzyl-N-[(2S,3R)-3-hydroxy-1-phenylpent-4-yn-2-yl]-4-methylbenzenesulfonamide
CID 10971835
tert-butyl (2S)-2-[benzyl-(4-methylphenyl)sulfonylamino]-3-methylbutanoate
CID 100984415

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide (CID 72966793) is N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide is C=CC(c1ccccc1)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide?
The InChIKey is BKHWIULOQLLLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2S/c1-3-23(21-12-8-5-9-13-21)24(18-20-10-6-4-7-11-20)27(25,26)22-16-14-19(2)15-17-22/h3-17,23H,1,18H2,2H3.
What are the key properties of N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide?
N-benzyl-4-methyl-N-(1-phenylprop-2-enyl)benzenesulfonamide has a molecular weight of 377.51 g/mol, XLogP of 5.11, 7 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-(1-phenylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 72966793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).