4-bromo-2-methylsulfanylbenzamide

C8H8BrNOS — CID 154647138

IUPAC4-bromo-2-methylsulfanylbenzamide
SMILESCSc1cc(Br)ccc1C(N)=O
InChIInChI=1S/C8H8BrNOS/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H2,10,11)
InChIKeyRHWYUZODYZLQQA-UHFFFAOYSA-N
MW246.13 g/mol
LogP2.27
Rot. Bonds2

About 4-bromo-2-methylsulfanylbenzamide

4-bromo-2-methylsulfanylbenzamide (PubChem CID 154647138) has the molecular formula C8H8BrNOS and a molecular weight of 246.13 g/mol. Its IUPAC name is 4-bromo-2-methylsulfanylbenzamide.

Molecular Properties

Compound Name4-bromo-2-methylsulfanylbenzamide
PubChem CID154647138
Molecular FormulaC8H8BrNOS
Molecular Weight246.13 g/mol
Exact Mass244.95
IUPAC Name4-bromo-2-methylsulfanylbenzamide
SMILESCSc1cc(Br)ccc1C(N)=O
InChIInChI=1S/C8H8BrNOS/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H2,10,11)
InChIKeyRHWYUZODYZLQQA-UHFFFAOYSA-N
XLogP2.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminoethyl)-4-bromobenzamide
CID 70087597
2-(4-bromo-2-methylsulfanylphenyl)acetic acid
CID 90299181
N-[bis(methylsulfanyl)methylidene]-4-bromo-2-fluorobenzamide;4-bromo-2-fluorobenzamide
CID 159160717
N-(5-bromo-2-carbamothioylphenyl)-2-methylsulfanylbenzamide
CID 107798777
6-bromo-3-methylnaphthalene-2-carboxamide
CID 20595138
4-bromo-2-[fluoro(methoxy)methyl]benzamide
CID 91249938
5-bromo-2-carbamoylbenzenesulfinic acid
CID 129046862
4-bromo-1-ethyl-2-methylsulfanylbenzene
CID 91880753
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
4-bromo-2-(fluoromethyl)benzamide
CID 91008252
5-bromo-N-[4-[(5-bromo-2-methylsulfanylbenzoyl)amino]phenyl]-2-methylsulfanylbenzamide
CID 4604381
5-bromo-2-methylsulfanylphenol
CID 21187949

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methylsulfanylbenzamide?
The IUPAC name of 4-bromo-2-methylsulfanylbenzamide (CID 154647138) is 4-bromo-2-methylsulfanylbenzamide.
What is the SMILES notation for 4-bromo-2-methylsulfanylbenzamide?
The canonical SMILES for 4-bromo-2-methylsulfanylbenzamide is CSc1cc(Br)ccc1C(N)=O.
What is the InChIKey of 4-bromo-2-methylsulfanylbenzamide?
The InChIKey is RHWYUZODYZLQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNOS/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H2,10,11).
What are the key properties of 4-bromo-2-methylsulfanylbenzamide?
4-bromo-2-methylsulfanylbenzamide has a molecular weight of 246.13 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methylsulfanylbenzamide is sourced from PubChem (CID 154647138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).