3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide

C11H17FN2O3S — CID 120824953

IUPAC3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H17FN2O3S/c1-8(13-2)7-14-18(15,16)9-4-5-11(17-3)10(12)6-9/h4-6,8,13-14H,7H2,1-3H3
InChIKeyCFBLJTVXMFJOLH-UHFFFAOYSA-N
MW276.33 g/mol
LogP0.72
Rot. Bonds6

About 3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide

3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 120824953) has the molecular formula C11H17FN2O3S and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID120824953
Molecular FormulaC11H17FN2O3S
Molecular Weight276.33 g/mol
Exact Mass276.09
IUPAC Name3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C11H17FN2O3S/c1-8(13-2)7-14-18(15,16)9-4-5-11(17-3)10(12)6-9/h4-6,8,13-14H,7H2,1-3H3
InChIKeyCFBLJTVXMFJOLH-UHFFFAOYSA-N
XLogP0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethoxy)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120877054
3,4-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824781
2-fluoro-4,5-dimethoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824947
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512475
3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 64912268
3-fluoro-4-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzenesulfonamide
CID 71810535
4-(ethylsulfonylamino)-3-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120825305
3,4-dimethyl-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824457
3-fluoro-N-[2-(methylamino)propyl]-4-(propan-2-ylsulfonylamino)benzenesulfonamide;hydrochloride
CID 120825450
3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide
CID 103836369
5-chloro-2-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120824319
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 20962682

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide (CID 120824953) is 3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is CFBLJTVXMFJOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O3S/c1-8(13-2)7-14-18(15,16)9-4-5-11(17-3)10(12)6-9/h4-6,8,13-14H,7H2,1-3H3.
What are the key properties of 3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide?
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 276.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 120824953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).