4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine

C10H11N3O3S2 — CID 797938

IUPAC4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine
SMILESO=S(=O)(c1ccc2nsnc2c1)N1CCOCC1
InChIInChI=1S/C10H11N3O3S2/c14-18(15,13-3-5-16-6-4-13)8-1-2-9-10(7-8)12-17-11-9/h1-2,7H,3-6H2
InChIKeyYAUZBTIYJYBTBR-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.71
Rot. Bonds2

About 4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine

4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine (PubChem CID 797938) has the molecular formula C10H11N3O3S2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine.

Molecular Properties

Compound Name4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine
PubChem CID797938
Molecular FormulaC10H11N3O3S2
Molecular Weight285.35 g/mol
Exact Mass285.02
IUPAC Name4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine
SMILESO=S(=O)(c1ccc2nsnc2c1)N1CCOCC1
InChIInChI=1S/C10H11N3O3S2/c14-18(15,13-3-5-16-6-4-13)8-1-2-9-10(7-8)12-17-11-9/h1-2,7H,3-6H2
InChIKeyYAUZBTIYJYBTBR-UHFFFAOYSA-N
XLogP0.71
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(Piperazine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 931485
4-(Piperidine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 558425
6-(morpholine-4-sulfonyl)-1H-1,2,3-benzotriazol-1-ol
CID 2440007
4-[(4-Methylpiperazinyl)sulfonyl]benzo[c]1,2,5-thiadiazole
CID 757158
N,N-Dimethyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 541928
N,N-Diethyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 551831
4-(2,6-Dimethyl-morpholine-4-sulfonyl)-benzo[1,2,5]thiadiazole
CID 2942478
4-Methyl-7-(morpholin-4-ylsulfonyl)benzo[c]1,2,5-thiadiazole
CID 816759
4-[(4-Ethylpiperazinyl)sulfonyl]benzo[c]1,2,5-thiadiazole
CID 1091549
Ethyl 4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carboxylate
CID 3236286
6-(piperidine-1-sulfonyl)-1H-1,2,3-benzotriazol-1-ol
CID 2440031
4-(3,5-Dimethylpiperidin-1-yl)sulfonyl-2,1,3-benzothiadiazole
CID 5060907

Frequently Asked Questions

What is the IUPAC name of 4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine?
The IUPAC name of 4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine (CID 797938) is 4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine.
What is the SMILES notation for 4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine?
The canonical SMILES for 4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine is O=S(=O)(c1ccc2nsnc2c1)N1CCOCC1.
What is the InChIKey of 4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine?
The InChIKey is YAUZBTIYJYBTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S2/c14-18(15,13-3-5-16-6-4-13)8-1-2-9-10(7-8)12-17-11-9/h1-2,7H,3-6H2.
What are the key properties of 4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine?
4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine has a molecular weight of 285.35 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,1,3-benzothiadiazol-5-ylsulfonyl)morpholine is sourced from PubChem (CID 797938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).