4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine

C11H13N3O3S2 — CID 816759

IUPAC4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)c2nsnc12
InChIInChI=1S/C11H13N3O3S2/c1-8-2-3-9(11-10(8)12-18-13-11)19(15,16)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3
InChIKeyLKIZAVIHKBVHES-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.02
Rot. Bonds2

About 4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine

4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine (PubChem CID 816759) has the molecular formula C11H13N3O3S2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine.

Molecular Properties

Compound Name4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine
PubChem CID816759
Molecular FormulaC11H13N3O3S2
Molecular Weight299.38 g/mol
Exact Mass299.04
IUPAC Name4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)c2nsnc12
InChIInChI=1S/C11H13N3O3S2/c1-8-2-3-9(11-10(8)12-18-13-11)19(15,16)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3
InChIKeyLKIZAVIHKBVHES-UHFFFAOYSA-N
XLogP1.02
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine?
The IUPAC name of 4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine (CID 816759) is 4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine.
What is the SMILES notation for 4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine?
The canonical SMILES for 4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine is Cc1ccc(S(=O)(=O)N2CCOCC2)c2nsnc12.
What is the InChIKey of 4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine?
The InChIKey is LKIZAVIHKBVHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3S2/c1-8-2-3-9(11-10(8)12-18-13-11)19(15,16)14-4-6-17-7-5-14/h2-3H,4-7H2,1H3.
What are the key properties of 4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine?
4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine has a molecular weight of 299.38 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methyl-2,1,3-benzothiadiazol-4-yl)sulfonyl]morpholine is sourced from PubChem (CID 816759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).