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

C10H11BrClNO2S — CID 103826990

IUPAC3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide
SMILESCS(=O)CCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H11BrClNO2S/c1-16(15)3-2-13-10(14)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyOYCJGJCKIBIDNB-UHFFFAOYSA-N
MW324.63 g/mol
LogP2.21
Rot. Bonds4

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

3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide (PubChem CID 103826990) has the molecular formula C10H11BrClNO2S and a molecular weight of 324.63 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide
PubChem CID103826990
Molecular FormulaC10H11BrClNO2S
Molecular Weight324.63 g/mol
Exact Mass322.94
IUPAC Name3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide
SMILESCS(=O)CCNC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C10H11BrClNO2S/c1-16(15)3-2-13-10(14)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3,(H,13,14)
InChIKeyOYCJGJCKIBIDNB-UHFFFAOYSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.63
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-5-chloro-N-(2-ethylsulfinylethyl)benzamide
CID 103826993
3-bromo-5-methoxy-N-(2-methylsulfinylethyl)benzamide
CID 138025994
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
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-methylsulfinylethyl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide (CID 103826990) is 3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide is CS(=O)CCNC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide?
The InChIKey is OYCJGJCKIBIDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO2S/c1-16(15)3-2-13-10(14)7-4-8(11)6-9(12)5-7/h4-6H,2-3H2,1H3,(H,13,14).
What are the key properties of 3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide?
3-bromo-5-chloro-N-(2-methylsulfinylethyl)benzamide has a molecular weight of 324.63 g/mol, XLogP of 2.21, 4 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-methylsulfinylethyl)benzamide is sourced from PubChem (CID 103826990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).