N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide

C14H12Cl2N2O2S — CID 61302386

IUPACN-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
SMILESNc1ccc(NC(=O)CS(=O)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2S/c15-9-1-4-11(5-2-9)21(20)8-14(19)18-13-6-3-10(17)7-12(13)16/h1-7H,8,17H2,(H,18,19)
InChIKeyBISUOQRNRDCDMQ-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.32
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide

N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide (PubChem CID 61302386) has the molecular formula C14H12Cl2N2O2S and a molecular weight of 343.24 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
PubChem CID61302386
Molecular FormulaC14H12Cl2N2O2S
Molecular Weight343.24 g/mol
Exact Mass342.00
IUPAC NameN-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
SMILESNc1ccc(NC(=O)CS(=O)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2S/c15-9-1-4-11(5-2-9)21(20)8-14(19)18-13-6-3-10(17)7-12(13)16/h1-7H,8,17H2,(H,18,19)
InChIKeyBISUOQRNRDCDMQ-UHFFFAOYSA-N
XLogP3.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61301611
N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide
CID 61287457
N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide
CID 61301818
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81201202
N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide
CID 61287409
N-(4-amino-2-chlorophenyl)-2-(2-methylsulfonylethylsulfinyl)acetamide
CID 63660470
N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide
CID 62646858
N-(4-amino-2-chlorophenyl)-2-pentylsulfinylacetamide
CID 107753561
N-(4-amino-2-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753895
N-(4-amino-2-chlorophenyl)-2-(2,5-dichlorophenoxy)acetamide
CID 28542842
2-[2-(2,4-dichloroanilino)-2-oxoethyl]sulfinylacetic acid
CID 5102061
N-(4-amino-2-chlorophenyl)-2-thiophen-2-ylacetamide
CID 16783810

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide (CID 61302386) is N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide is Nc1ccc(NC(=O)CS(=O)c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide?
The InChIKey is BISUOQRNRDCDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2S/c15-9-1-4-11(5-2-9)21(20)8-14(19)18-13-6-3-10(17)7-12(13)16/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide?
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide has a molecular weight of 343.24 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide is sourced from PubChem (CID 61302386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).