4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide

C17H21NO3S — CID 139969428

IUPAC4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-2-15-8-10-17(11-9-15)22(19,20)18-12-13-21-14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3
InChIKeyXUYIUKIKHGVEBB-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.74
Rot. Bonds8

About 4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide

4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide (PubChem CID 139969428) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
PubChem CID139969428
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1
InChIInChI=1S/C17H21NO3S/c1-2-15-8-10-17(11-9-15)22(19,20)18-12-13-21-14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3
InChIKeyXUYIUKIKHGVEBB-UHFFFAOYSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorophenyl)methoxy]ethyl]-4-propylbenzenesulfonamide
CID 139969449
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide
CID 110425143
4-ethyl-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
CID 9450706
1-phenyl-N-(2-phenylmethoxyethyl)methanesulfonamide
CID 3764868
1-ethyl-4-(phenylmethoxymethyl)benzene
CID 123410479
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
N-(2-phenylmethoxyethyl)naphthalene-1-sulfonamide
CID 139969441
2-[2-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethoxy]ethoxy]ethylcarbamic acid
CID 118524153
N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide
CID 139969429
N-[2-(2,3-dimethylphenoxy)ethyl]-4-ethylbenzenesulfonamide
CID 113100960
4-ethyl-N-[(2S)-2-hydroxy-2-phenylethyl]benzenesulfonamide
CID 6930626
4-methoxy-2,3-dimethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide
CID 100553033

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide (CID 139969428) is 4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1.
What is the InChIKey of 4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide?
The InChIKey is XUYIUKIKHGVEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-2-15-8-10-17(11-9-15)22(19,20)18-12-13-21-14-16-6-4-3-5-7-16/h3-11,18H,2,12-14H2,1H3.
What are the key properties of 4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide?
4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-phenylmethoxyethyl)benzenesulfonamide is sourced from PubChem (CID 139969428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).