N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide

C13H21FN2O3S — CID 63287461

IUPACN-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
SMILESCOCCN(CCCN)S(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H21FN2O3S/c1-11-4-5-12(14)10-13(11)20(17,18)16(7-3-6-15)8-9-19-2/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyJOKJLMOVAWQBMT-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.12
Rot. Bonds8

About N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide

N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide (PubChem CID 63287461) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
PubChem CID63287461
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC NameN-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
SMILESCOCCN(CCCN)S(=O)(=O)c1cc(F)ccc1C
InChIInChI=1S/C13H21FN2O3S/c1-11-4-5-12(14)10-13(11)20(17,18)16(7-3-6-15)8-9-19-2/h4-5,10H,3,6-9,15H2,1-2H3
InChIKeyJOKJLMOVAWQBMT-UHFFFAOYSA-N
XLogP1.12
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide
CID 63287373
N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107329467
N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493900
2-[butyl-(5-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 47064825
2-[(2,5-dimethylphenyl)sulfonyl-(2-methoxyethyl)amino]acetamide
CID 47090064
2-(3-aminoprop-1-ynyl)-N-ethyl-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61447521
2,4-difluoro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 74225327
3-(aminomethyl)-4-fluoro-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 63288206
N-(2-bromoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107492914
N-(3-aminopropyl)-N-(2-methoxyethyl)-1,2-dimethylimidazole-4-sulfonamide
CID 55171323
N-(3-aminopropyl)-N-benzyl-2,5-dimethylbenzenesulfonamide
CID 120664269
2-[[3-aminopropyl(2-methoxyethyl)sulfamoyl]amino]-2-methylpropane
CID 114804003

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide (CID 63287461) is N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide is COCCN(CCCN)S(=O)(=O)c1cc(F)ccc1C.
What is the InChIKey of N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide?
The InChIKey is JOKJLMOVAWQBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-11-4-5-12(14)10-13(11)20(17,18)16(7-3-6-15)8-9-19-2/h4-5,10H,3,6-9,15H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide?
N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 63287461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).