5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide

C13H20FNO3S — CID 3839977

IUPAC5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H20FNO3S/c1-3-8-18-9-4-7-15-19(16,17)13-10-12(14)6-5-11(13)2/h5-6,10,15H,3-4,7-9H2,1-2H3
InChIKeyUWRLDVIIQATUNT-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.23
Rot. Bonds8

About 5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide

5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide (PubChem CID 3839977) has the molecular formula C13H20FNO3S and a molecular weight of 289.37 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide
PubChem CID3839977
Molecular FormulaC13H20FNO3S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC Name5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H20FNO3S/c1-3-8-18-9-4-7-15-19(16,17)13-10-12(14)6-5-11(13)2/h5-6,10,15H,3-4,7-9H2,1-2H3
InChIKeyUWRLDVIIQATUNT-UHFFFAOYSA-N
XLogP2.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.23
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-Ethyl-o-toluenesulfonamide
CID 14110
2-methyl-N-(tetrahydro-2-furanylmethyl)benzenesulfonamide
CID 11839503
N-(3-methoxypropyl)-4-methylbenzenesulfonamide
CID 1728149
N-(3-butoxypropyl)-1-phenylmethanesulfonamide
CID 2290683
N-(3-ethoxypropyl)benzenesulfonamide
CID 2172319
N-(3-ethoxypropyl)-1-phenylmethanesulfonamide
CID 2180838
4-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 24319582
N-(3-butoxypropyl)benzenesulfonamide
CID 2163994
N-(1-methoxypropan-2-yl)-4-methylbenzenesulfonamide
CID 3819693
N-(2-methoxyethyl)-2,4,6-trimethylbenzenesulfonamide
CID 2057946
4-fluoro-3-methyl-N-propylbenzenesulfonamide
CID 1630696
N-prop-2-enyl-2-(trifluoromethyl)benzenesulfonamide
CID 2366624

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide (CID 3839977) is 5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide is CCCOCCCNS(=O)(=O)c1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide?
The InChIKey is UWRLDVIIQATUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3S/c1-3-8-18-9-4-7-15-19(16,17)13-10-12(14)6-5-11(13)2/h5-6,10,15H,3-4,7-9H2,1-2H3.
What are the key properties of 5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide?
5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide has a molecular weight of 289.37 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(3-propoxypropyl)benzenesulfonamide is sourced from PubChem (CID 3839977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).