3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide

C13H20FNO4S — CID 110758209

IUPAC3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C13H20FNO4S/c1-10(2)19-13-6-5-11(9-12(13)14)20(16,17)15-7-4-8-18-3/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyDPVSMMIRIGWAOM-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.93
Rot. Bonds8

About 3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide

3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110758209) has the molecular formula C13H20FNO4S and a molecular weight of 305.37 g/mol. Its IUPAC name is 3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide
PubChem CID110758209
Molecular FormulaC13H20FNO4S
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide
SMILESCOCCCNS(=O)(=O)c1ccc(OC(C)C)c(F)c1
InChIInChI=1S/C13H20FNO4S/c1-10(2)19-13-6-5-11(9-12(13)14)20(16,17)15-7-4-8-18-3/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyDPVSMMIRIGWAOM-UHFFFAOYSA-N
XLogP1.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.93
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

4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110758038
3-fluoro-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039010
3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide
CID 104600565
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776
3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 64912268
3-fluoro-4-propan-2-yloxybenzenesulfonic acid
CID 82475780
3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110758135
3-fluoro-N-(4-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758244
4-cyclopentyloxy-3-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 110300909
N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119959966
2-methoxy-N-(3-methoxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 110300192
3-fluoro-N-(2-methoxyphenyl)-4-propan-2-yloxybenzenesulfonamide
CID 110758242

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide (CID 110758209) is 3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide is COCCCNS(=O)(=O)c1ccc(OC(C)C)c(F)c1.
What is the InChIKey of 3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is DPVSMMIRIGWAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO4S/c1-10(2)19-13-6-5-11(9-12(13)14)20(16,17)15-7-4-8-18-3/h5-6,9-10,15H,4,7-8H2,1-3H3.
What are the key properties of 3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide?
3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 305.37 g/mol, XLogP of 1.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-methoxypropyl)-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110758209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).