2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone

C17H13Cl2N3O2S — CID 121134498

IUPAC2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc2nsnc2c1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H13Cl2N3O2S/c18-12-5-11(6-13(19)8-12)16-9-22(3-4-24-16)17(23)10-1-2-14-15(7-10)21-25-20-14/h1-2,5-8,16H,3-4,9H2
InChIKeyOYXLAOZWWVOJKD-UHFFFAOYSA-N
MW394.28 g/mol
LogP4.21
Rot. Bonds2

About 2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone

2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone (PubChem CID 121134498) has the molecular formula C17H13Cl2N3O2S and a molecular weight of 394.28 g/mol. Its IUPAC name is 2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
PubChem CID121134498
Molecular FormulaC17H13Cl2N3O2S
Molecular Weight394.28 g/mol
Exact Mass393.01
IUPAC Name2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc2nsnc2c1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C17H13Cl2N3O2S/c18-12-5-11(6-13(19)8-12)16-9-22(3-4-24-16)17(23)10-1-2-14-15(7-10)21-25-20-14/h1-2,5-8,16H,3-4,9H2
InChIKeyOYXLAOZWWVOJKD-UHFFFAOYSA-N
XLogP4.21
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-nitrophenyl)methanone
CID 121134485
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(3-methoxyphenyl)methanone
CID 121134461
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
CID 121134505
(2,5-dichlorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134531
(2-amino-1,3-benzothiazol-5-yl)-[2-(3,4-dichlorophenyl)morpholin-4-yl]methanone
CID 155501481
[4-(2,1,3-benzothiadiazole-5-carbonyl)morpholin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110246660
[2-(4-bromophenyl)morpholin-4-yl]-(3-chlorophenyl)methanone
CID 47913302
(2-chloro-6-fluorophenyl)-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 121134492
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657
[(2S)-2-(3,4-dichlorophenyl)morpholin-4-yl]-quinolin-7-ylmethanone
CID 95188416
[2-(3-chlorophenyl)morpholin-4-yl]-[3-(methoxymethyl)phenyl]methanone
CID 122138903
(4-chlorophenyl)-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]methanone
CID 155946524

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The IUPAC name of 2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone (CID 121134498) is 2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone.
What is the SMILES notation for 2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The canonical SMILES for 2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone is O=C(c1ccc2nsnc2c1)N1CCOC(c2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
The InChIKey is OYXLAOZWWVOJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2S/c18-12-5-11(6-13(19)8-12)16-9-22(3-4-24-16)17(23)10-1-2-14-15(7-10)21-25-20-14/h1-2,5-8,16H,3-4,9H2.
What are the key properties of 2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone?
2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone has a molecular weight of 394.28 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzothiadiazol-5-yl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone is sourced from PubChem (CID 121134498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).