5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one

C10H8ClNO4S — CID 18759934

IUPAC5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one
SMILESCC(=O)CN1C(=O)c2cc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C10H8ClNO4S/c1-6(13)5-12-10(14)8-4-7(11)2-3-9(8)17(12,15)16/h2-4H,5H2,1H3
InChIKeyAZRHMGGUOBIWIZ-UHFFFAOYSA-N
MW273.70 g/mol
LogP1.07
Rot. Bonds2

About 5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one

5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one (PubChem CID 18759934) has the molecular formula C10H8ClNO4S and a molecular weight of 273.70 g/mol. Its IUPAC name is 5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one
PubChem CID18759934
Molecular FormulaC10H8ClNO4S
Molecular Weight273.70 g/mol
Exact Mass272.99
IUPAC Name5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one
SMILESCC(=O)CN1C(=O)c2cc(Cl)ccc2S1(=O)=O
InChIInChI=1S/C10H8ClNO4S/c1-6(13)5-12-10(14)8-4-7(11)2-3-9(8)17(12,15)16/h2-4H,5H2,1H3
InChIKeyAZRHMGGUOBIWIZ-UHFFFAOYSA-N
XLogP1.07
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one
CID 20608632
(E)-4-(5-chloro-1,1,3-trioxo-1,2-benzothiazol-2-yl)-3-methylbut-2-enenitrile
CID 70465131
6-chloro-2-(3-ethoxy-2-oxopropyl)-1,1-dioxo-1,2-benzothiazol-3-one
CID 126803042
6-chloro-2-ethyl-1,1-dioxo-1,2-benzothiazol-3-one
CID 67718228
2-[2-(carboxymethyl)-1,1,3,5,7,7-hexaoxo-[1,2]thiazolo[4,5-f][1,2]benzothiazol-6-yl]acetic acid
CID 3257804
(E)-4-(5-fluoro-1,1,3-trioxo-1,2-benzothiazol-2-yl)-3-methylbut-2-enenitrile
CID 70464639
N-[2-(4-chlorophenyl)sulfanylphenyl]-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetamide
CID 3886099
2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl 5-chloro-2-hydroxybenzoate
CID 8604136
2-(9-chloro-5,5-dioxobenzo[c][1,2]benzothiazin-6-yl)-N-[2-(4-chlorophenyl)sulfanylethyl]acetamide
CID 28591795
5-chloro-1,1-dioxo-2-[4-[4-(2-oxo-3-propylbenzimidazol-1-yl)piperidin-1-yl]butyl]-1,2-benzothiazol-3-one
CID 15872111
2-[4-[4-(3-butyl-2-oxobenzimidazol-1-yl)piperidin-1-yl]butyl]-5-chloro-1,1-dioxo-1,2-benzothiazol-3-one
CID 18695969
2-[2-(4-methylphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 2815176

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one?
The IUPAC name of 5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one (CID 18759934) is 5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one.
What is the SMILES notation for 5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one?
The canonical SMILES for 5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one is CC(=O)CN1C(=O)c2cc(Cl)ccc2S1(=O)=O.
What is the InChIKey of 5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one?
The InChIKey is AZRHMGGUOBIWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO4S/c1-6(13)5-12-10(14)8-4-7(11)2-3-9(8)17(12,15)16/h2-4H,5H2,1H3.
What are the key properties of 5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one?
5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one has a molecular weight of 273.70 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,1-dioxo-2-(2-oxopropyl)-1,2-benzothiazol-3-one is sourced from PubChem (CID 18759934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).