2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

C13H17N3O3S — CID 106423811

IUPAC2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C13H17N3O3S/c1-2-14-9-11-5-3-4-6-13(11)20(17,18)16-10-12-7-8-15-19-12/h3-8,14,16H,2,9-10H2,1H3
InChIKeyFHJYAEWXCOANSG-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.26
Rot. Bonds7

About 2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106423811) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
PubChem CID106423811
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESCCNCc1ccccc1S(=O)(=O)NCc1ccno1
InChIInChI=1S/C13H17N3O3S/c1-2-14-9-11-5-3-4-6-13(11)20(17,18)16-10-12-7-8-15-19-12/h3-8,14,16H,2,9-10H2,1H3
InChIKeyFHJYAEWXCOANSG-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424008
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106422783
5-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)furan-2-sulfonamide
CID 106423367
2-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106419554
N-(1,2-oxazol-5-ylmethyl)-2-(propylamino)pyridine-3-sulfonamide
CID 106422776
1-[4-(ethylaminomethyl)phenyl]-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
CID 106423853
4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106422766
2-(ethylaminomethyl)-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069257
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 106419997
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384
1-(2-cyanophenyl)-N-(1,2-oxazol-5-ylmethyl)methanesulfonamide
CID 104600391
5-amino-2,4-difluoro-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106413925

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (CID 106423811) is 2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is CCNCc1ccccc1S(=O)(=O)NCc1ccno1.
What is the InChIKey of 2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is FHJYAEWXCOANSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-2-14-9-11-5-3-4-6-13(11)20(17,18)16-10-12-7-8-15-19-12/h3-8,14,16H,2,9-10H2,1H3.
What are the key properties of 2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106423811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).