2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide

C13H17N3O3S — CID 126832243

IUPAC2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
SMILESCCc1ccc(NCc2ncc(C)o2)cc1S(N)(=O)=O
InChIInChI=1S/C13H17N3O3S/c1-3-10-4-5-11(6-12(10)20(14,17)18)15-8-13-16-7-9(2)19-13/h4-7,15H,3,8H2,1-2H3,(H2,14,17,18)
InChIKeyDOQBJAUXDNIVJZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.80
Rot. Bonds5

About 2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide

2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide (PubChem CID 126832243) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
PubChem CID126832243
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
SMILESCCc1ccc(NCc2ncc(C)o2)cc1S(N)(=O)=O
InChIInChI=1S/C13H17N3O3S/c1-3-10-4-5-11(6-12(10)20(14,17)18)15-8-13-16-7-9(2)19-13/h4-7,15H,3,8H2,1-2H3,(H2,14,17,18)
InChIKeyDOQBJAUXDNIVJZ-UHFFFAOYSA-N
XLogP1.80
TPSA98.22 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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]-2,3-dihydroindole-6-sulfonamide
CID 72126072
3-(benzenesulfonylmethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 75427324
N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-1-[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
CID 132322008
N-[4-ethyl-3-[4-(trifluoromethyl)anilino]sulfanylphenyl]-1,3-oxazole-2-carboxamide
CID 156859712
2-ethyl-5-[1-(1,3-oxazol-2-yl)ethenylamino]-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 166755204
N-[4-ethyl-3-[[4-(trifluoromethyl)phenyl]sulfamoyl]phenyl]-1,3-oxazole-2-carboxamide
CID 168786242
N-benzyl-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 101360292
3-fluoro-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-nitrobenzenesulfonamide
CID 75510143
N-[2-fluoro-5-[(5-methyl-1,3-oxazol-2-yl)methylsulfamoyl]phenyl]acetamide
CID 99818085
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 103764545
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106368906
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-3-methylbenzenesulfonamide
CID 106368920

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide?
The IUPAC name of 2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide (CID 126832243) is 2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide is CCc1ccc(NCc2ncc(C)o2)cc1S(N)(=O)=O.
What is the InChIKey of 2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide?
The InChIKey is DOQBJAUXDNIVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-3-10-4-5-11(6-12(10)20(14,17)18)15-8-13-16-7-9(2)19-13/h4-7,15H,3,8H2,1-2H3,(H2,14,17,18).
What are the key properties of 2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide?
2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 126832243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).