N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide

C15H25FN2O2S — CID 106116377

IUPACN-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCCCC(CCN)CNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C15H25FN2O2S/c1-4-5-13(6-7-17)10-18-21(19,20)15-11(2)8-14(16)9-12(15)3/h8-9,13,18H,4-7,10,17H2,1-3H3
InChIKeyDUMDVELSOZNWMW-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.49
Rot. Bonds8

About N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide

N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide (PubChem CID 106116377) has the molecular formula C15H25FN2O2S and a molecular weight of 316.44 g/mol. Its IUPAC name is N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
PubChem CID106116377
Molecular FormulaC15H25FN2O2S
Molecular Weight316.44 g/mol
Exact Mass316.16
IUPAC NameN-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
SMILESCCCC(CCN)CNS(=O)(=O)c1c(C)cc(F)cc1C
InChIInChI=1S/C15H25FN2O2S/c1-4-5-13(6-7-17)10-18-21(19,20)15-11(2)8-14(16)9-12(15)3/h8-9,13,18H,4-7,10,17H2,1-3H3
InChIKeyDUMDVELSOZNWMW-UHFFFAOYSA-N
XLogP2.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113473
N-(2-bromo-3-methylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107329395
N-(2,2-dicyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107327255
4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide
CID 107327354
N-(2-amino-2-ethylbutyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107328336
N-(2-ethylhexyl)-2,4,6-trimethylbenzenesulfonamide
CID 5144200
2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-N'-hydroxypentanimidamide
CID 107328387
5-amino-2,4-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113601
2-[[(2,4,6-trifluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 65223007
3-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 106108260
4-fluoro-N-(2-hydroxyethyl)-2,6-dimethylbenzenesulfonamide
CID 107326821
ethyl 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 107327014

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide (CID 106116377) is N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide is CCCC(CCN)CNS(=O)(=O)c1c(C)cc(F)cc1C.
What is the InChIKey of N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
The InChIKey is DUMDVELSOZNWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O2S/c1-4-5-13(6-7-17)10-18-21(19,20)15-11(2)8-14(16)9-12(15)3/h8-9,13,18H,4-7,10,17H2,1-3H3.
What are the key properties of N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide?
N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide has a molecular weight of 316.44 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethyl)pentyl]-4-fluoro-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 106116377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).