N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide

C10H16N2O3S — CID 28755028

IUPACN-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(OCCN)c1
InChIInChI=1S/C10H16N2O3S/c1-2-16(13,14)12-9-4-3-5-10(8-9)15-7-6-11/h3-5,8,12H,2,6-7,11H2,1H3
InChIKeyKIQWMNMAGCQYDM-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.79
Rot. Bonds6

About N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide

N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide (PubChem CID 28755028) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
PubChem CID28755028
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-[3-(2-aminoethoxy)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(OCCN)c1
InChIInChI=1S/C10H16N2O3S/c1-2-16(13,14)12-9-4-3-5-10(8-9)15-7-6-11/h3-5,8,12H,2,6-7,11H2,1H3
InChIKeyKIQWMNMAGCQYDM-UHFFFAOYSA-N
XLogP0.79
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(dimethylamino)ethoxy]phenyl]ethanesulfonamide
CID 64593310
2-amino-N-[3-(2-methoxyethoxy)phenyl]ethanesulfonamide
CID 39373158
N-[3-(2-aminoethoxy)phenyl]cyclopropanesulfonamide
CID 64554905
N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
CID 61062339
N,4-bis[3-(2-aminoethoxy)phenyl]hexane-1-sulfonamide
CID 175293651
3-amino-N-(3-ethoxyphenyl)propane-1-sulfonamide
CID 54967740
N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 28755040
2-[[3-(2-aminoethoxy)phenyl]sulfamoyl]propanoic acid
CID 63120963
2-chloro-N-(3-propoxyphenyl)ethanesulfonamide
CID 107651359
N-[3-(2-aminoethoxy)phenyl]azepane-1-sulfonamide
CID 43369656
N-[3-(2-aminoethoxy)phenyl]-2-chlorobenzenesulfonamide
CID 63120987
N-[3-(2-aminoethoxy)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 28755050

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide (CID 28755028) is N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(OCCN)c1.
What is the InChIKey of N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide?
The InChIKey is KIQWMNMAGCQYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-2-16(13,14)12-9-4-3-5-10(8-9)15-7-6-11/h3-5,8,12H,2,6-7,11H2,1H3.
What are the key properties of N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide?
N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethoxy)phenyl]ethanesulfonamide is sourced from PubChem (CID 28755028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).