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

C17H21NO4S — CID 3543875

IUPAC2,5-dimethoxy-N-(3-phenylpropyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C17H21NO4S/c1-21-15-10-11-16(22-2)17(13-15)23(19,20)18-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13,18H,6,9,12H2,1-2H3
InChIKeyLSAWXBAPVRWFPX-UHFFFAOYSA-N
MW335.43 g/mol
LogP2.61
Rot. Bonds8

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

2,5-dimethoxy-N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 3543875) has the molecular formula C17H21NO4S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(3-phenylpropyl)benzenesulfonamide
PubChem CID3543875
Molecular FormulaC17H21NO4S
Molecular Weight335.43 g/mol
Exact Mass335.12
IUPAC Name2,5-dimethoxy-N-(3-phenylpropyl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NCCCc2ccccc2)c1
InChIInChI=1S/C17H21NO4S/c1-21-15-10-11-16(22-2)17(13-15)23(19,20)18-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13,18H,6,9,12H2,1-2H3
InChIKeyLSAWXBAPVRWFPX-UHFFFAOYSA-N
XLogP2.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,5-dimethoxybenzenesulfonamide
CID 729552
2,5-dimethoxy-N-methylbenzene-1-sulfonamide
CID 768903
N-benzyl-2,5-diethoxybenzenesulfonamide
CID 775818
2,5-dimethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 2931143
N-cyclopentyl-2,5-dimethoxy-4-methylbenzenesulfonamide
CID 6457913
4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782
N-benzyl-2,5-dimethoxybenzenesulfonamide
CID 741450
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 868666
N,N-dibenzyl-2,5-dimethoxybenzenesulfonamide
CID 1339330
4-Methoxy-N-(3-phenylpropyl)benzenesulfonamide
CID 1718316
4-fluoro-3-methoxy-N-(2-methylcyclohexyl)benzenesulfonamide
CID 2989021
3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
CID 740562

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(3-phenylpropyl)benzenesulfonamide (CID 3543875) is 2,5-dimethoxy-N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(3-phenylpropyl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NCCCc2ccccc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is LSAWXBAPVRWFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4S/c1-21-15-10-11-16(22-2)17(13-15)23(19,20)18-12-6-9-14-7-4-3-5-8-14/h3-5,7-8,10-11,13,18H,6,9,12H2,1-2H3.
What are the key properties of 2,5-dimethoxy-N-(3-phenylpropyl)benzenesulfonamide?
2,5-dimethoxy-N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 3543875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).