4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide

C18H21NO2S — CID 45102183

IUPAC4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
SMILESC=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO2S/c1-3-7-17(14-16-8-5-4-6-9-16)19-22(20,21)18-12-10-15(2)11-13-18/h3-6,8-13,17,19H,1,7,14H2,2H3/t17-/m0/s1
InChIKeyQNJKRWHMLBQGSK-KRWDZBQOSA-N
MW315.44 g/mol
LogP3.46
Rot. Bonds7

About 4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide

4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide (PubChem CID 45102183) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
PubChem CID45102183
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
SMILESC=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H21NO2S/c1-3-7-17(14-16-8-5-4-6-9-16)19-22(20,21)18-12-10-15(2)11-13-18/h3-6,8-13,17,19H,1,7,14H2,2H3/t17-/m0/s1
InChIKeyQNJKRWHMLBQGSK-KRWDZBQOSA-N
XLogP3.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
N-[(2R)-1-chloro-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 102467096
4-methyl-N-[(2S)-1-phenylpentan-2-yl]benzenesulfonamide
CID 45102181
4-methyl-N-[(2S)-1-phenyl-3-phenylselanylpropan-2-yl]benzenesulfonamide
CID 50993309
N-[(2S)-1-(2,6-dibromophenyl)-3-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 165342128
[(2R)-1,1-dideuterio-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate
CID 131668400
4-methyl-N-[(2S)-1-phenyl-3-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 93004561
N-dec-1-en-4-yl-4-methylbenzenesulfonamide
CID 11174340
4-methyl-N-nona-1,8-dien-5-ylbenzenesulfonamide
CID 25016898
4-methyl-N-[(2R,4S)-4-methyl-5-oxo-1-phenylheptan-2-yl]benzenesulfonamide
CID 10809381
4-methyl-N-[(2S)-1,1,1-trideuterio-3-phenylpropan-2-yl]benzenesulfonamide
CID 71752636
2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoyl fluoride
CID 175585401

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide (CID 45102183) is 4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide is C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide?
The InChIKey is QNJKRWHMLBQGSK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-3-7-17(14-16-8-5-4-6-9-16)19-22(20,21)18-12-10-15(2)11-13-18/h3-6,8-13,17,19H,1,7,14H2,2H3/t17-/m0/s1.
What are the key properties of 4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide?
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide is sourced from PubChem (CID 45102183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).