N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide

C13H17N3O3S — CID 10017402

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C13H17N3O3S/c1-4-14-11-5-7-12(8-6-11)20(17,18)16-13-9(2)10(3)15-19-13/h5-8,14,16H,4H2,1-3H3
InChIKeyULNGREUDJHQHEA-UHFFFAOYSA-N
MW295.36 g/mol
LogP2.52
Rot. Bonds5

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide (PubChem CID 10017402) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide
PubChem CID10017402
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C13H17N3O3S/c1-4-14-11-5-7-12(8-6-11)20(17,18)16-13-9(2)10(3)15-19-13/h5-8,14,16H,4H2,1-3H3
InChIKeyULNGREUDJHQHEA-UHFFFAOYSA-N
XLogP2.52
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide (CID 10017402) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide is CCNc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide?
The InChIKey is ULNGREUDJHQHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-4-14-11-5-7-12(8-6-11)20(17,18)16-13-9(2)10(3)15-19-13/h5-8,14,16H,4H2,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-(ethylamino)benzenesulfonamide is sourced from PubChem (CID 10017402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).