N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide

C19H23NO2S — CID 23726775

IUPACN-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide
SMILESC=CC(CC)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO2S/c1-4-18(5-2)20(15-17-9-7-6-8-10-17)23(21,22)19-13-11-16(3)12-14-19/h4,6-14,18H,1,5,15H2,2-3H3
InChIKeyRXKBFFDBFCACTO-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.15
Rot. Bonds7

About N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide

N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide (PubChem CID 23726775) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide
PubChem CID23726775
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC NameN-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide
SMILESC=CC(CC)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H23NO2S/c1-4-18(5-2)20(15-17-9-7-6-8-10-17)23(21,22)19-13-11-16(3)12-14-19/h4,6-14,18H,1,5,15H2,2-3H3
InChIKeyRXKBFFDBFCACTO-UHFFFAOYSA-N
XLogP4.15
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.15
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-(1-phenylprop-2-enyl)benzenesulfonamide
CID 72966793
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-propan-2-ylbenzenesulfonamide
CID 2813484
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
N-benzyl-N-[2-[benzyl-(4-methylphenyl)sulfonylamino]ethynyl]-4-methylbenzenesulfonamide
CID 162397950
4-methyl-N-(2-phenylethyl)-N-(1-phenylmethoxyprop-2-enyl)benzenesulfonamide
CID 11223942
N-(benzenesulfonyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 56647729
tert-butyl (2S)-2-[benzyl-(4-methylphenyl)sulfonylamino]-3-methylbutanoate
CID 100984415
N-benzyl-N-[(2S,3R)-3-hydroxy-1-phenylpent-4-yn-2-yl]-4-methylbenzenesulfonamide
CID 10971835
N-benzyl-N-[(1Z)-2-chlorobuta-1,3-dienyl]-4-methylbenzenesulfonamide
CID 134875223
4-methyl-N-[(2S)-1-phenylmethoxybut-3-en-2-yl]-N-[(1S)-1-phenylprop-2-enyl]benzenesulfonamide
CID 101056784

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide (CID 23726775) is N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide is C=CC(CC)N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide?
The InChIKey is RXKBFFDBFCACTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-4-18(5-2)20(15-17-9-7-6-8-10-17)23(21,22)19-13-11-16(3)12-14-19/h4,6-14,18H,1,5,15H2,2-3H3.
What are the key properties of N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide?
N-benzyl-4-methyl-N-pent-1-en-3-ylbenzenesulfonamide has a molecular weight of 329.47 g/mol, XLogP of 4.15, 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-pent-1-en-3-ylbenzenesulfonamide is sourced from PubChem (CID 23726775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).