3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

C13H17N3O3S — CID 106419481

IUPAC3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCNC(C)c1cccc(S(=O)(=O)NCc2ccno2)c1
InChIInChI=1S/C13H17N3O3S/c1-10(14-2)11-4-3-5-13(8-11)20(17,18)16-9-12-6-7-15-19-12/h3-8,10,14,16H,9H2,1-2H3
InChIKeyZHNIPESGBWJXAE-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.43
Rot. Bonds6

About 3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106419481) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
PubChem CID106419481
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCNC(C)c1cccc(S(=O)(=O)NCc2ccno2)c1
InChIInChI=1S/C13H17N3O3S/c1-10(14-2)11-4-3-5-13(8-11)20(17,18)16-9-12-6-7-15-19-12/h3-8,10,14,16H,9H2,1-2H3
InChIKeyZHNIPESGBWJXAE-UHFFFAOYSA-N
XLogP1.43
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106420018
3-[1-(methylamino)ethyl]-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83142320
N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
3-[1-(methylamino)ethyl]-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61461304
4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423847
4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106422766
3-[1-(methylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63957668
3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 43506746
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423936
2,2-dimethyl-3-[[3-[1-(methylamino)ethyl]phenyl]sulfonylamino]propanamide
CID 106278277

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (CID 106419481) is 3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is CNC(C)c1cccc(S(=O)(=O)NCc2ccno2)c1.
What is the InChIKey of 3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is ZHNIPESGBWJXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10(14-2)11-4-3-5-13(8-11)20(17,18)16-9-12-6-7-15-19-12/h3-8,10,14,16H,9H2,1-2H3.
What are the key properties of 3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106419481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).