2-chloro-2-(4-methylsulfinylphenyl)acetamide

C9H10ClNO2S — CID 70044998

IUPAC2-chloro-2-(4-methylsulfinylphenyl)acetamide
SMILESCS(=O)c1ccc(C(Cl)C(N)=O)cc1
InChIInChI=1S/C9H10ClNO2S/c1-14(13)7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,1H3,(H2,11,12)
InChIKeyAUPJPTSRWHADAV-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.19
Rot. Bonds3

About 2-chloro-2-(4-methylsulfinylphenyl)acetamide

2-chloro-2-(4-methylsulfinylphenyl)acetamide (PubChem CID 70044998) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is 2-chloro-2-(4-methylsulfinylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-(4-methylsulfinylphenyl)acetamide
PubChem CID70044998
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC Name2-chloro-2-(4-methylsulfinylphenyl)acetamide
SMILESCS(=O)c1ccc(C(Cl)C(N)=O)cc1
InChIInChI=1S/C9H10ClNO2S/c1-14(13)7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,1H3,(H2,11,12)
InChIKeyAUPJPTSRWHADAV-UHFFFAOYSA-N
XLogP1.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenyl)-2-chloroacetamide
CID 62226048
3-(4-methylsulfinylphenyl)butanamide
CID 123524648
2-chloro-2-(4-cyclopropylphenyl)acetamide
CID 79979887
4-methylsulfinylaniline
CID 11435065
(1S)-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine
CID 95757276
2-(4-methylsulfinylphenyl)butane-1,3-diamine
CID 57238144
N-[1-(4-chlorophenyl)ethyl]-4-methylsulfinylbenzamide
CID 78797054
N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]but-2-ynamide
CID 146083763
potassium 4-methylsulfinylbenzoate
CID 158029868
2-methylsulfanyl-N-[(1S)-1-[4-[(S)-methylsulfinyl]phenyl]ethyl]acetamide
CID 97088499
2-methylsulfanyl-N-[(1S)-1-[4-[(R)-methylsulfinyl]phenyl]ethyl]acetamide
CID 97088501
2-chloro-2-(3-fluorophenyl)acetamide
CID 62225850

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(4-methylsulfinylphenyl)acetamide?
The IUPAC name of 2-chloro-2-(4-methylsulfinylphenyl)acetamide (CID 70044998) is 2-chloro-2-(4-methylsulfinylphenyl)acetamide.
What is the SMILES notation for 2-chloro-2-(4-methylsulfinylphenyl)acetamide?
The canonical SMILES for 2-chloro-2-(4-methylsulfinylphenyl)acetamide is CS(=O)c1ccc(C(Cl)C(N)=O)cc1.
What is the InChIKey of 2-chloro-2-(4-methylsulfinylphenyl)acetamide?
The InChIKey is AUPJPTSRWHADAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c1-14(13)7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,1H3,(H2,11,12).
What are the key properties of 2-chloro-2-(4-methylsulfinylphenyl)acetamide?
2-chloro-2-(4-methylsulfinylphenyl)acetamide has a molecular weight of 231.70 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(4-methylsulfinylphenyl)acetamide is sourced from PubChem (CID 70044998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).