2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide

C17H21NO2S — CID 2439946

IUPAC2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C17H21NO2S/c1-14-10-11-15(2)17(13-14)21(19,20)18-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,6,9,12H2,1-2H3
InChIKeyGNUMLIFDIXEMDK-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.21
Rot. Bonds6

About 2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide

2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 2439946) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
PubChem CID2439946
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC Name2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C17H21NO2S/c1-14-10-11-15(2)17(13-14)21(19,20)18-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,6,9,12H2,1-2H3
InChIKeyGNUMLIFDIXEMDK-UHFFFAOYSA-N
XLogP3.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 55573437
2-amino-4-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 60905949
N-butyl-2,5-dimethylbenzenesulfonamide
CID 2414109
2,5-dimethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzenesulfonamide
CID 113044146
2,5-dimethyl-N-undecylbenzenesulfonamide
CID 19681448
N-decyl-2,5-dimethylbenzenesulfonamide
CID 19681411
2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 119965080
2-methyl-5-[(2-methylbenzimidazol-2-yl)methyl]-N-(3-phenylpropyl)benzenesulfonamide
CID 67821426
2,5-dimethyl-N-[(2R)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7777692
N-(6-chlorohexyl)-2,5-dimethylbenzenesulfonamide
CID 114008809
N-[3-(ethylamino)propyl]-2,5-dimethylbenzenesulfonamide
CID 43606579
2-(methylamino)-N-(3-phenylpropyl)benzenesulfonamide
CID 62145986

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide (CID 2439946) is 2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is GNUMLIFDIXEMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-14-10-11-15(2)17(13-14)21(19,20)18-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,18H,6,9,12H2,1-2H3.
What are the key properties of 2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide?
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 2439946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).