3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide

C11H11BrClNO3S — CID 110411834

IUPAC3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H11BrClNO3S/c12-8-3-7(4-9(13)5-8)11(15)14-10-1-2-18(16,17)6-10/h3-5,10H,1-2,6H2,(H,14,15)
InChIKeyNJIBORNQMAXAAL-UHFFFAOYSA-N
MW352.64 g/mol
LogP2.02
Rot. Bonds2

About 3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide

3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide (PubChem CID 110411834) has the molecular formula C11H11BrClNO3S and a molecular weight of 352.64 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
PubChem CID110411834
Molecular FormulaC11H11BrClNO3S
Molecular Weight352.64 g/mol
Exact Mass350.93
IUPAC Name3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H11BrClNO3S/c12-8-3-7(4-9(13)5-8)11(15)14-10-1-2-18(16,17)6-10/h3-5,10H,1-2,6H2,(H,14,15)
InChIKeyNJIBORNQMAXAAL-UHFFFAOYSA-N
XLogP2.02
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.64
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468
3-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 7083020
3-bromo-N-(1,1-dioxothian-3-yl)-5-methylbenzamide
CID 104852729
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
N-(1,1-dioxothiolan-3-yl)-3,5-dinitrobenzamide
CID 5182225
N-[(3R)-1,1-dioxothiolan-3-yl]benzamide
CID 40634625
3-bromo-N-[(3R)-1,1-dioxothian-3-yl]benzamide
CID 95264332
3,5-dichloro-N-(1,1-dioxothiolan-3-yl)-4-pentoxybenzamide
CID 18848405
2,4-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7090741
2,4-dichloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3126628
3,4-dichloro-N-(1,1-dioxothiolan-3-yl)-5-nitrobenzamide
CID 43215623

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide (CID 110411834) is 3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide is O=C(NC1CCS(=O)(=O)C1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is NJIBORNQMAXAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO3S/c12-8-3-7(4-9(13)5-8)11(15)14-10-1-2-18(16,17)6-10/h3-5,10H,1-2,6H2,(H,14,15).
What are the key properties of 3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide?
3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide has a molecular weight of 352.64 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 110411834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).