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

C10H15FN2O2S — CID 103512475

IUPAC4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H15FN2O2S/c1-8(12-2)7-13-16(14,15)10-5-3-9(11)4-6-10/h3-6,8,12-13H,7H2,1-2H3
InChIKeyFOZCSLYHFWVHKV-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.71
Rot. Bonds5

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

4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide (PubChem CID 103512475) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
PubChem CID103512475
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC Name4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide
SMILESCNC(C)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C10H15FN2O2S/c1-8(12-2)7-13-16(14,15)10-5-3-9(11)4-6-10/h3-6,8,12-13H,7H2,1-2H3
InChIKeyFOZCSLYHFWVHKV-UHFFFAOYSA-N
XLogP0.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 120664997
4-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43394414
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
N-(3-chloro-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 65036723
N-(3-bromo-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 114298088
N-[2-(methylamino)propyl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 120824445
4-N-cyclopropyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide
CID 120824790
4-N,4-N-dimethyl-1-N-[2-(methylamino)propyl]benzene-1,4-disulfonamide;hydrochloride
CID 120825045
N-(3-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 120582028
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
3-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
4-[2-(methylamino)propylsulfamoyl]benzamide
CID 120824934

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide (CID 103512475) is 4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide is CNC(C)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
The InChIKey is FOZCSLYHFWVHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-8(12-2)7-13-16(14,15)10-5-3-9(11)4-6-10/h3-6,8,12-13H,7H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide?
4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide has a molecular weight of 246.31 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 103512475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).