3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide

C11H11BrClNO3S — CID 103980277

IUPAC3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cccc(Br)c1Cl
InChIInChI=1S/C11H11BrClNO3S/c12-9-3-1-2-8(10(9)13)11(15)14-7-4-5-18(16,17)6-7/h1-3,7H,4-6H2,(H,14,15)
InChIKeyLWZVGXXXGNBHFQ-UHFFFAOYSA-N
MW352.64 g/mol
LogP2.02
Rot. Bonds2

About 3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide

3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide (PubChem CID 103980277) has the molecular formula C11H11BrClNO3S and a molecular weight of 352.64 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
PubChem CID103980277
Molecular FormulaC11H11BrClNO3S
Molecular Weight352.64 g/mol
Exact Mass350.93
IUPAC Name3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cccc(Br)c1Cl
InChIInChI=1S/C11H11BrClNO3S/c12-9-3-1-2-8(10(9)13)11(15)14-7-4-5-18(16,17)6-7/h1-3,7H,4-6H2,(H,14,15)
InChIKeyLWZVGXXXGNBHFQ-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

2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720
2-[(2-bromobenzoyl)amino]-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 95574617
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
CID 6595863
3-amino-2-chloro-N-(1,1-dioxothian-4-yl)benzamide
CID 112575046
cis-(1S,3R)-3-[(3-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676317
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
2-bromo-N-(1,1-dioxothiolan-3-yl)-5-sulfanylbenzamide
CID 107020744
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-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259712
N-(1,1-dioxothiolan-3-yl)-2,6-dihydroxybenzamide
CID 103749000
3-bromo-2-chloro-N-(4-methylcycloheptyl)benzamide
CID 114100333

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide (CID 103980277) is 3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide is O=C(NC1CCS(=O)(=O)C1)c1cccc(Br)c1Cl.
What is the InChIKey of 3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide?
The InChIKey is LWZVGXXXGNBHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClNO3S/c12-9-3-1-2-8(10(9)13)11(15)14-7-4-5-18(16,17)6-7/h1-3,7H,4-6H2,(H,14,15).
What are the key properties of 3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide?
3-bromo-2-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-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide is sourced from PubChem (CID 103980277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).