2-(4-bromophenyl)sulfinylacetamide

C8H8BrNO2S — CID 130650723

IUPAC2-(4-bromophenyl)sulfinylacetamide
SMILESNC(=O)CS(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO2S/c9-6-1-3-7(4-2-6)13(12)5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKeyCRTCFJVVNPJDLG-UHFFFAOYSA-N
MW262.13 g/mol
LogP1.04
Rot. Bonds3

About 2-(4-bromophenyl)sulfinylacetamide

2-(4-bromophenyl)sulfinylacetamide (PubChem CID 130650723) has the molecular formula C8H8BrNO2S and a molecular weight of 262.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfinylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfinylacetamide
PubChem CID130650723
Molecular FormulaC8H8BrNO2S
Molecular Weight262.13 g/mol
Exact Mass260.95
IUPAC Name2-(4-bromophenyl)sulfinylacetamide
SMILESNC(=O)CS(=O)c1ccc(Br)cc1
InChIInChI=1S/C8H8BrNO2S/c9-6-1-3-7(4-2-6)13(12)5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKeyCRTCFJVVNPJDLG-UHFFFAOYSA-N
XLogP1.04
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.13
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromophenyl)sulfinylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-(4-bromophenyl)sulfinylacetate
CID 142845757
(2-amino-2-oxoethyl) 4-[(R)-(4-bromophenyl)sulfinyl]butanoate
CID 95353673
N-[4-(aminomethyl)phenyl]-2-(4-bromophenyl)sulfinylacetamide
CID 81328118
2-(4-bromophenyl)sulfinyl-1-(2,5-dichlorophenyl)ethanone
CID 64641310
2-(4-bromophenyl)sulfinyl-1-(3,4-dichlorophenyl)ethanone
CID 64641102
2-(4-bromophenyl)sulfinyl-1-(5-chlorothiophen-2-yl)ethanone
CID 64640094
2-[(R)-[4-(4-bromophenyl)phenyl]methylsulfinyl]acetamide
CID 129411278
2-(3-aminophenyl)sulfinylacetamide
CID 81180355
1-amino-3-(4-bromophenyl)sulfinylpropan-2-ol
CID 115477006
2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 40525367
1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)sulfinylethanone
CID 64639499
4-[(4-bromophenyl)methylsulfinyl]aniline
CID 61368304

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfinylacetamide?
The IUPAC name of 2-(4-bromophenyl)sulfinylacetamide (CID 130650723) is 2-(4-bromophenyl)sulfinylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfinylacetamide?
The canonical SMILES for 2-(4-bromophenyl)sulfinylacetamide is NC(=O)CS(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)sulfinylacetamide?
The InChIKey is CRTCFJVVNPJDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2S/c9-6-1-3-7(4-2-6)13(12)5-8(10)11/h1-4H,5H2,(H2,10,11).
What are the key properties of 2-(4-bromophenyl)sulfinylacetamide?
2-(4-bromophenyl)sulfinylacetamide has a molecular weight of 262.13 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfinylacetamide is sourced from PubChem (CID 130650723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).