1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one

C10H7Cl2N3O2S — CID 65474969

IUPAC1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C10H7Cl2N3O2S/c11-5-2-6(12)10(9-8(5)13-18-14-9)15-3-4(16)1-7(15)17/h2,4,16H,1,3H2
InChIKeyKYMZCDJUFYMIRO-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.10
Rot. Bonds1

About 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one

1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 65474969) has the molecular formula C10H7Cl2N3O2S and a molecular weight of 304.16 g/mol. Its IUPAC name is 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one
PubChem CID65474969
Molecular FormulaC10H7Cl2N3O2S
Molecular Weight304.16 g/mol
Exact Mass302.96
IUPAC Name1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1c(Cl)cc(Cl)c2nsnc12
InChIInChI=1S/C10H7Cl2N3O2S/c11-5-2-6(12)10(9-8(5)13-18-14-9)15-3-4(16)1-7(15)17/h2,4,16H,1,3H2
InChIKeyKYMZCDJUFYMIRO-UHFFFAOYSA-N
XLogP2.10
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloro-4,6-difluorophenyl)-4-hydroxypyrrolidin-2-one
CID 83087452
4-(aminomethyl)-1-(5-chloro-2,1,3-benzothiadiazol-4-yl)pyrrolidin-2-one
CID 65475154
1-(2,6-dichloro-4-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703824
[1-(5-chloro-2,1,3-benzothiadiazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673961
1-(4-chloro-3-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703378
1-(5-bromo-3-chloro-2-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703181
1-(5-chloropyrimidin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168703639
1-(3,6-dichloropyridazin-4-yl)-4-hydroxypyrrolidin-2-one
CID 168703833
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704050
1-(2,6-difluoro-4-iodophenyl)-4-hydroxypyrrolidin-2-one
CID 168703213
1-(6-chloro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703439
1-(6-chloro-4-methyl-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168702660

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one (CID 65474969) is 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1c(Cl)cc(Cl)c2nsnc12.
What is the InChIKey of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is KYMZCDJUFYMIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2S/c11-5-2-6(12)10(9-8(5)13-18-14-9)15-3-4(16)1-7(15)17/h2,4,16H,1,3H2.
What are the key properties of 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one?
1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 304.16 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 65474969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).