4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

C13H17N3O3S — CID 106423847

IUPAC4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCc2ccno2)cc1
InChIInChI=1S/C13H17N3O3S/c1-14-8-6-11-2-4-13(5-3-11)20(17,18)16-10-12-7-9-15-19-12/h2-5,7,9,14,16H,6,8,10H2,1H3
InChIKeyYECOEHOEDUDCMZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.92
Rot. Bonds7

About 4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106423847) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
PubChem CID106423847
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)NCc2ccno2)cc1
InChIInChI=1S/C13H17N3O3S/c1-14-8-6-11-2-4-13(5-3-11)20(17,18)16-10-12-7-9-15-19-12/h2-5,7,9,14,16H,6,8,10H2,1H3
InChIKeyYECOEHOEDUDCMZ-UHFFFAOYSA-N
XLogP0.92
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.92
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
4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106422766
4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089546
2-fluoro-4-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424004
N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 114186437
4-[2-(methylamino)ethyl]-N-[(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 106062575
2-bromo-5-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424019
3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423936
3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106419481
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384
1-[2-(ethylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 106423967
N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 23006271

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (CID 106423847) is 4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is CNCCc1ccc(S(=O)(=O)NCc2ccno2)cc1.
What is the InChIKey of 4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is YECOEHOEDUDCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-14-8-6-11-2-4-13(5-3-11)20(17,18)16-10-12-7-9-15-19-12/h2-5,7,9,14,16H,6,8,10H2,1H3.
What are the key properties of 4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106423847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).