N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide

C9H10ClNO2S — CID 148879032

IUPACN-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide
SMILESC=S(=O)(Cl)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C9H10ClNO2S/c1-7(12)11-8-3-5-9(6-4-8)14(2,10)13/h3-6H,2H2,1H3,(H,11,12)
InChIKeyPCRKPEDHPGXREM-UHFFFAOYSA-N
MW231.70 g/mol
LogP1.87
Rot. Bonds2

About N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide

N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide (PubChem CID 148879032) has the molecular formula C9H10ClNO2S and a molecular weight of 231.70 g/mol. Its IUPAC name is N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide
PubChem CID148879032
Molecular FormulaC9H10ClNO2S
Molecular Weight231.70 g/mol
Exact Mass231.01
IUPAC NameN-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide
SMILESC=S(=O)(Cl)c1ccc(NC(C)=O)cc1
InChIInChI=1S/C9H10ClNO2S/c1-7(12)11-8-3-5-9(6-4-8)14(2,10)13/h3-6H,2H2,1H3,(H,11,12)
InChIKeyPCRKPEDHPGXREM-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide 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

4-acetamidobenzene(18F)sulfonyl fluoride
CID 72736472
N-[4-[(4-acetamidophenyl)sulfonylsulfamoyl]phenyl]acetamide
CID 71349024
4-acetamidobenzenesulfonic acid chloride
CID 53446633
N-(4-carbamoylsulfonylphenyl)acetamide
CID 117038027
N-[4-(4-acetamidophenyl)sulfonylphenyl]acetamide azide
CID 159711754
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543
N-[4-[(4-acetamidophenyl)sulfonyl-diazomethyl]sulfonylphenyl]acetamide
CID 19931654
ethyl 4-acetamidobenzenesulfonate
CID 91726392
(E)-2-(4-acetamidophenyl)ethenesulfonyl chloride
CID 23469627
(4-acetamidophenyl)sulfonylimino-methylazanium
CID 145222283
N-[4-[(2,6-diethylphenyl)sulfamoyl]phenyl]acetamide
CID 2725688

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide?
The IUPAC name of N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide (CID 148879032) is N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide?
The canonical SMILES for N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide is C=S(=O)(Cl)c1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide?
The InChIKey is PCRKPEDHPGXREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO2S/c1-7(12)11-8-3-5-9(6-4-8)14(2,10)13/h3-6H,2H2,1H3,(H,11,12).
What are the key properties of N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide?
N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide has a molecular weight of 231.70 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloro-methylidene-oxo-λ6-sulfanyl)phenyl]acetamide is sourced from PubChem (CID 148879032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).