6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine

C18H17ClN2O4S2 — CID 50835026

About 6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine

6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine (PubChem CID 50835026) has the molecular formula C18H17ClN2O4S2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine.

Molecular Properties

• Compound Name: 6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine
• PubChem CID: 50835026
• Molecular Formula: C18H17ClN2O4S2
• Molecular Weight: 424.93 g/mol
• Exact Mass: 424.03
• IUPAC Name: 6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine
• SMILES: CCC1CN(S(=O)(=O)c2cc(-c3cc(C)no3)cs2)c2cc(Cl)ccc2O1
• InChI: InChI=1S/C18H17ClN2O4S2/c1-3-14-9-21(15-8-13(19)4-5-16(15)24-14)27(22,23)18-7-12(10-26-18)17-6-11(2)20-25-17/h4-8,10,14H,3,9H2,1-2H3
• InChIKey: OBPRPEGQCBYTDY-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 72.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.93
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine?

The IUPAC name of 6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine (CID 50835026) is 6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine.

What is the SMILES notation for 6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine?

The canonical SMILES for 6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine is CCC1CN(S(=O)(=O)c2cc(-c3cc(C)no3)cs2)c2cc(Cl)ccc2O1.

What is the InChIKey of 6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine?

The InChIKey is OBPRPEGQCBYTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S2/c1-3-14-9-21(15-8-13(19)4-5-16(15)24-14)27(22,23)18-7-12(10-26-18)17-6-11(2)20-25-17/h4-8,10,14H,3,9H2,1-2H3.

What are the key properties of 6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine?

6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine has a molecular weight of 424.93 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-2-ethyl-4-[4-(3-methyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl-2,3-dihydro-1,4-benzoxazine is sourced from PubChem (CID 50835026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).