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

C12H19FN2O3S — CID 102701544

IUPAC4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(C)OC)ccc1F
InChIInChI=1S/C12H19FN2O3S/c1-9(18-3)7-15-19(16,17)11-4-5-12(13)10(6-11)8-14-2/h4-6,9,14-15H,7-8H2,1-3H3
InChIKeyOIHCEUDIBICKST-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.86
Rot. Bonds7

About 4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide

4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide (PubChem CID 102701544) has the molecular formula C12H19FN2O3S and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
PubChem CID102701544
Molecular FormulaC12H19FN2O3S
Molecular Weight290.36 g/mol
Exact Mass290.11
IUPAC Name4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(C)OC)ccc1F
InChIInChI=1S/C12H19FN2O3S/c1-9(18-3)7-15-19(16,17)11-4-5-12(13)10(6-11)8-14-2/h4-6,9,14-15H,7-8H2,1-3H3
InChIKeyOIHCEUDIBICKST-UHFFFAOYSA-N
XLogP0.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-methoxypropyl)-3-(propylaminomethyl)benzenesulfonamide
CID 102701601
4-fluoro-N-(3-methoxy-2-methylpropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106050778
4-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701447
3-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102697449
4-fluoro-N-(4-methoxybutan-2-yl)-3-(methylaminomethyl)benzenesulfonamide
CID 106067547
N-[2-(dimethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106032493
4-fluoro-3-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106063003
N-[2-(diethylamino)ethyl]-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106034867
4-(chloromethyl)-N-(2-methoxypropyl)-3-methylbenzenesulfonamide
CID 112737391
3-amino-5-fluoro-4-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102694383
4-fluoro-3-(methylaminomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 106089946
5-chloro-2-methoxy-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide
CID 102701487

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide (CID 102701544) is 4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide is CNCc1cc(S(=O)(=O)NCC(C)OC)ccc1F.
What is the InChIKey of 4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide?
The InChIKey is OIHCEUDIBICKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O3S/c1-9(18-3)7-15-19(16,17)11-4-5-12(13)10(6-11)8-14-2/h4-6,9,14-15H,7-8H2,1-3H3.
What are the key properties of 4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide?
4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide has a molecular weight of 290.36 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-methoxypropyl)-3-(methylaminomethyl)benzenesulfonamide is sourced from PubChem (CID 102701544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).