N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide

C13H21FN2O3S — CID 107329467

IUPACN-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide
SMILESCOCCN(CCN)S(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C13H21FN2O3S/c1-10-8-12(14)9-11(2)13(10)20(17,18)16(5-4-15)6-7-19-3/h8-9H,4-7,15H2,1-3H3
InChIKeySBZBZVLYXAKVMB-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.04
Rot. Bonds7

About N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide

N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide (PubChem CID 107329467) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide
PubChem CID107329467
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC NameN-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide
SMILESCOCCN(CCN)S(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C13H21FN2O3S/c1-10-8-12(14)9-11(2)13(10)20(17,18)16(5-4-15)6-7-19-3/h8-9H,4-7,15H2,1-3H3
InChIKeySBZBZVLYXAKVMB-UHFFFAOYSA-N
XLogP1.04
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-(2,2-difluoroethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107493796
N-(3-aminopropyl)-5-fluoro-N-(2-methoxyethyl)-2-methylbenzenesulfonamide
CID 63287461
2-amino-N,N-bis(2-methoxyethyl)-6-methylbenzenesulfonamide
CID 43587441
3-(aminomethyl)-4-fluoro-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 63288206
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2,4,6-trifluorobenzenesulfonamide
CID 107493808
methyl 2-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-propylamino]acetate
CID 107326909
N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide
CID 63287373
N-(2-aminoethyl)-5-fluoro-2-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 107493900
N-(2,2-difluoroethyl)-4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107479241
3-[(4-fluoro-2,6-dimethylphenyl)sulfonyl-methylamino]propanethioamide
CID 107327646
3-[ethyl-(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanimidamide
CID 107329497
N-(1-amino-2-methylpropan-2-yl)-N-ethyl-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107325986

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide (CID 107329467) is N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide is COCCN(CCN)S(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide?
The InChIKey is SBZBZVLYXAKVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-10-8-12(14)9-11(2)13(10)20(17,18)16(5-4-15)6-7-19-3/h8-9H,4-7,15H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide?
N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-fluoro-N-(2-methoxyethyl)-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107329467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).