N-methyl-N-(5-phenylpentyl)benzenesulfonamide

C18H23NO2S — CID 22024838

IUPACN-methyl-N-(5-phenylpentyl)benzenesulfonamide
SMILESCN(CCCCCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H23NO2S/c1-19(22(20,21)18-14-8-3-9-15-18)16-10-4-7-13-17-11-5-2-6-12-17/h2-3,5-6,8-9,11-12,14-15H,4,7,10,13,16H2,1H3
InChIKeyAENKWMOQZMEILX-UHFFFAOYSA-N
MW317.45 g/mol
LogP3.72
Rot. Bonds8

About N-methyl-N-(5-phenylpentyl)benzenesulfonamide

N-methyl-N-(5-phenylpentyl)benzenesulfonamide (PubChem CID 22024838) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is N-methyl-N-(5-phenylpentyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(5-phenylpentyl)benzenesulfonamide
PubChem CID22024838
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC NameN-methyl-N-(5-phenylpentyl)benzenesulfonamide
SMILESCN(CCCCCc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H23NO2S/c1-19(22(20,21)18-14-8-3-9-15-18)16-10-4-7-13-17-11-5-2-6-12-17/h2-3,5-6,8-9,11-12,14-15H,4,7,10,13,16H2,1H3
InChIKeyAENKWMOQZMEILX-UHFFFAOYSA-N
XLogP3.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide
CID 43587419
N,4-dibutyl-N-methylbenzenesulfonamide
CID 3736049
(2S)-12-[benzenesulfonyl(methyl)amino]-2-methyldodecanoic acid
CID 15319363
2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide
CID 61053398
4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 61301532
N,N-dimethyl-7-phenylheptan-1-amine;hydrate
CID 173447731
N,N-dimethyl-18-phenyloctadecan-1-amine;hydrochloride
CID 173450545
N,N-dimethyl-9-phenylnonan-1-amine;hydrochloride
CID 173027256
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 65486467
N-methyl-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 78925058
[4-[3-[benzenesulfonyl(methyl)amino]propyl]phenyl]-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 66915469
N-[2-[methyl-(4-methylphenyl)sulfonylamino]ethyl]-5-phenylpentanamide
CID 110415332

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-phenylpentyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-(5-phenylpentyl)benzenesulfonamide (CID 22024838) is N-methyl-N-(5-phenylpentyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(5-phenylpentyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(5-phenylpentyl)benzenesulfonamide is CN(CCCCCc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-(5-phenylpentyl)benzenesulfonamide?
The InChIKey is AENKWMOQZMEILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-19(22(20,21)18-14-8-3-9-15-18)16-10-4-7-13-17-11-5-2-6-12-17/h2-3,5-6,8-9,11-12,14-15H,4,7,10,13,16H2,1H3.
What are the key properties of N-methyl-N-(5-phenylpentyl)benzenesulfonamide?
N-methyl-N-(5-phenylpentyl)benzenesulfonamide has a molecular weight of 317.45 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-phenylpentyl)benzenesulfonamide is sourced from PubChem (CID 22024838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).