3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide

C11H13BrClNO2S — CID 103826993

IUPAC3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide
SMILESCCS(=O)CCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H13BrClNO2S/c1-2-17(16)4-3-14-11(15)8-5-9(12)7-10(13)6-8/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyQVGSICSCQCLPHM-UHFFFAOYSA-N
MW338.65 g/mol
LogP2.60
Rot. Bonds5

About 3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide

3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide (PubChem CID 103826993) has the molecular formula C11H13BrClNO2S and a molecular weight of 338.65 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide
PubChem CID103826993
Molecular FormulaC11H13BrClNO2S
Molecular Weight338.65 g/mol
Exact Mass336.95
IUPAC Name3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide
SMILESCCS(=O)CCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C11H13BrClNO2S/c1-2-17(16)4-3-14-11(15)8-5-9(12)7-10(13)6-8/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyQVGSICSCQCLPHM-UHFFFAOYSA-N
XLogP2.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.65
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide
CID 103826990
3-bromo-N-(2-bromoethyl)-5-chlorobenzamide
CID 107941216
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883
3-bromo-5-chloro-N-[2-(methanesulfonamido)ethyl]benzamide
CID 113286145
3-bromo-5-chloro-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 103826635
3-bromo-5-chloro-N-(5-hydroxypentyl)benzamide
CID 107342962
ethyl 3-[(3-bromo-5-chlorobenzoyl)amino]propanoate
CID 103826754
5,6-dichloro-N-(2-ethylsulfinylethyl)pyridine-3-carboxamide
CID 115627342
3-bromo-N-(2-butoxyethyl)-5-chlorobenzamide
CID 103826764
3-bromo-5-chloro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107940200
3-bromo-5-chloro-N-[(2S)-2-hydroxypropyl]benzamide
CID 103884654
N-(2-azidoethyl)-3-bromo-5-chlorobenzamide
CID 107940769

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide (CID 103826993) is 3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide is CCS(=O)CCNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide?
The InChIKey is QVGSICSCQCLPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO2S/c1-2-17(16)4-3-14-11(15)8-5-9(12)7-10(13)6-8/h5-7H,2-4H2,1H3,(H,14,15).
What are the key properties of 3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide?
3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide has a molecular weight of 338.65 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide is sourced from PubChem (CID 103826993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).