N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide

C13H20FNO3S — CID 174330760

IUPACN-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccccc1C(O)C(C)F
InChIInChI=1S/C13H20FNO3S/c1-3-4-9-15-19(17,18)12-8-6-5-7-11(12)13(16)10(2)14/h5-8,10,13,15-16H,3-4,9H2,1-2H3
InChIKeyLPHHNJYYKBKWCT-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.16
Rot. Bonds7

About N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide

N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide (PubChem CID 174330760) has the molecular formula C13H20FNO3S and a molecular weight of 289.37 g/mol. Its IUPAC name is N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide
PubChem CID174330760
Molecular FormulaC13H20FNO3S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC NameN-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide
SMILESCCCCNS(=O)(=O)c1ccccc1C(O)C(C)F
InChIInChI=1S/C13H20FNO3S/c1-3-4-9-15-19(17,18)12-8-6-5-7-11(12)13(16)10(2)14/h5-8,10,13,15-16H,3-4,9H2,1-2H3
InChIKeyLPHHNJYYKBKWCT-UHFFFAOYSA-N
XLogP2.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminopentan-2-yl)-N-propylbenzenesulfonamide
CID 63548795
N-butyl-2-hydrazinylbenzenesulfonamide
CID 43454845
N-butyl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60822753
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
methyl 3-(butylsulfamoyl)-2-iodobenzoate
CID 23205828
N-butyl-2-(furan-2-yl)benzenesulfonamide
CID 168525566
N-ethyl-2-[3-(propylamino)pentan-2-yl]benzenesulfonamide
CID 63561312
N-butyl-2-(1,3-dioxoisoindol-2-yl)benzenesulfonamide
CID 168516960
3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide
CID 43507340
N-butyl-2-(1-fluoroethyl)benzamide
CID 170393539
2-amino-N-(3-hydroxybutyl)benzenesulfonamide
CID 64929991
N-(3-butoxypropyl)-2-methylsulfonylbenzenesulfonamide
CID 55559217

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide?
The IUPAC name of N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide (CID 174330760) is N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide is CCCCNS(=O)(=O)c1ccccc1C(O)C(C)F.
What is the InChIKey of N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide?
The InChIKey is LPHHNJYYKBKWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3S/c1-3-4-9-15-19(17,18)12-8-6-5-7-11(12)13(16)10(2)14/h5-8,10,13,15-16H,3-4,9H2,1-2H3.
What are the key properties of N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide?
N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide has a molecular weight of 289.37 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-fluoro-1-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 174330760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).