4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide

C12H18FNO4S — CID 110758038

IUPAC4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCOC)cc1F
InChIInChI=1S/C12H18FNO4S/c1-3-18-12-6-5-10(9-11(12)13)19(15,16)14-7-4-8-17-2/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyMQWCVIAIXRUIGI-UHFFFAOYSA-N
MW291.34 g/mol
LogP1.54
Rot. Bonds8

About 4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide

4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide (PubChem CID 110758038) has the molecular formula C12H18FNO4S and a molecular weight of 291.34 g/mol. Its IUPAC name is 4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
PubChem CID110758038
Molecular FormulaC12H18FNO4S
Molecular Weight291.34 g/mol
Exact Mass291.09
IUPAC Name4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCOC)cc1F
InChIInChI=1S/C12H18FNO4S/c1-3-18-12-6-5-10(9-11(12)13)19(15,16)14-7-4-8-17-2/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyMQWCVIAIXRUIGI-UHFFFAOYSA-N
XLogP1.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.34
LogP ≤ 51.54
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

3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110758135
3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758209
4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 27245832
4-ethoxy-3-fluoro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 110758068
3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide
CID 9173625
2-[2-fluoro-4-(2-methoxyethylsulfamoyl)phenoxy]-N,N-dimethylacetamide
CID 100814318
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039010
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide
CID 104600565
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119962102
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-4-ethoxy-3-fluorobenzenesulfonamide
CID 42388899

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide (CID 110758038) is 4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCCOC)cc1F.
What is the InChIKey of 4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide?
The InChIKey is MQWCVIAIXRUIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO4S/c1-3-18-12-6-5-10(9-11(12)13)19(15,16)14-7-4-8-17-2/h5-6,9,14H,3-4,7-8H2,1-2H3.
What are the key properties of 4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide?
4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide has a molecular weight of 291.34 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 110758038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).