3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

C14H19N3O3S — CID 81176656

IUPAC3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)NCc2ccon2)c1
InChIInChI=1S/C14H19N3O3S/c1-3-15-11(2)12-5-4-6-14(9-12)21(18,19)16-10-13-7-8-20-17-13/h4-9,11,15-16H,3,10H2,1-2H3
InChIKeyVUKCJYJASXXAPZ-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.82
Rot. Bonds7

About 3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (PubChem CID 81176656) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
PubChem CID81176656
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)NCc2ccon2)c1
InChIInChI=1S/C14H19N3O3S/c1-3-15-11(2)12-5-4-6-14(9-12)21(18,19)16-10-13-7-8-20-17-13/h4-9,11,15-16H,3,10H2,1-2H3
InChIKeyVUKCJYJASXXAPZ-UHFFFAOYSA-N
XLogP1.82
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 61167664
3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170422
N-(1,2-oxazol-3-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 81178108
N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43507135
N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43506942
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
4-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176602
N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 104828856
3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588979
4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401421
N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43591525
3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide
CID 83018391

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (CID 81176656) is 3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is CCNC(C)c1cccc(S(=O)(=O)NCc2ccon2)c1.
What is the InChIKey of 3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is VUKCJYJASXXAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-3-15-11(2)12-5-4-6-14(9-12)21(18,19)16-10-13-7-8-20-17-13/h4-9,11,15-16H,3,10H2,1-2H3.
What are the key properties of 3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 81176656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).