3-fluoro-N-(2-methoxypropyl)benzenesulfonamide

C10H14FNO3S — CID 102697449

IUPAC3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H14FNO3S/c1-8(15-2)7-12-16(13,14)10-5-3-4-9(11)6-10/h3-6,8,12H,7H2,1-2H3
InChIKeyMZYAARGEVXTNKO-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.14
Rot. Bonds5

About 3-fluoro-N-(2-methoxypropyl)benzenesulfonamide

3-fluoro-N-(2-methoxypropyl)benzenesulfonamide (PubChem CID 102697449) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-fluoro-N-(2-methoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
PubChem CID102697449
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
SMILESCOC(C)CNS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C10H14FNO3S/c1-8(15-2)7-12-16(13,14)10-5-3-4-9(11)6-10/h3-6,8,12H,7H2,1-2H3
InChIKeyMZYAARGEVXTNKO-UHFFFAOYSA-N
XLogP1.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(2-hydroxy-3-methylbutyl)benzenesulfonamide
CID 115755002
N-(3-amino-2-methylpropyl)-3-fluorobenzenesulfonamide;hydrochloride
CID 120582009
3-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 62674645
N-[(2R)-2-(ethylamino)propyl]-3-fluorobenzenesulfonamide;hydrochloride
CID 120664651
4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701544
N-(2-aminobutyl)-3-fluorobenzenesulfonamide
CID 63731601
2-[[(3-fluorophenyl)sulfonylamino]methyl]-3-methylbutanoic acid
CID 65221060
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704
N-[2-(3-fluorophenyl)-2-methoxyethyl]-3-methylbenzenesulfonamide
CID 90623048
2-chloro-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697607
3-[(3-fluorophenyl)sulfonylamino]-N'-hydroxy-2-methylpropanimidamide
CID 55102286

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-methoxypropyl)benzenesulfonamide (CID 102697449) is 3-fluoro-N-(2-methoxypropyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-methoxypropyl)benzenesulfonamide is COC(C)CNS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
The InChIKey is MZYAARGEVXTNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-8(15-2)7-12-16(13,14)10-5-3-4-9(11)6-10/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 3-fluoro-N-(2-methoxypropyl)benzenesulfonamide?
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide has a molecular weight of 247.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methoxypropyl)benzenesulfonamide is sourced from PubChem (CID 102697449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).