N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide

C14H12Cl2N2O2S — CID 62646858

IUPACN-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide
SMILESNc1cc(Cl)ccc1NC(=O)CS(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2S/c15-9-2-1-3-11(6-9)21(20)8-14(19)18-13-5-4-10(16)7-12(13)17/h1-7H,8,17H2,(H,18,19)
InChIKeyGELPMZCHHUVQES-UHFFFAOYSA-N
MW343.24 g/mol
LogP3.32
Rot. Bonds4

About N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide

N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide (PubChem CID 62646858) has the molecular formula C14H12Cl2N2O2S and a molecular weight of 343.24 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide
PubChem CID62646858
Molecular FormulaC14H12Cl2N2O2S
Molecular Weight343.24 g/mol
Exact Mass342.00
IUPAC NameN-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide
SMILESNc1cc(Cl)ccc1NC(=O)CS(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2S/c15-9-2-1-3-11(6-9)21(20)8-14(19)18-13-5-4-10(16)7-12(13)17/h1-7H,8,17H2,(H,18,19)
InChIKeyGELPMZCHHUVQES-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-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide
CID 61301818
N-(2-chlorophenyl)-2-[(S)-(3-chlorophenyl)sulfinyl]acetamide
CID 40520627
N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide
CID 61287409
2-(3-chlorophenyl)sulfinyl-N-(4-fluorophenyl)acetamide
CID 71283134
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61302386
2-(3-chlorophenyl)sulfinyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 71283389
N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753902
2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81176455
2-(3-chlorophenyl)sulfinyl-N-(3-cyanophenyl)acetamide
CID 64691051
2-(3-chlorophenyl)sulfinyl-N-(4-methylsulfonylphenyl)acetamide
CID 71283350
N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61301611
N-(2-amino-4-chlorophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045441

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide (CID 62646858) is N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide is Nc1cc(Cl)ccc1NC(=O)CS(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide?
The InChIKey is GELPMZCHHUVQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2S/c15-9-2-1-3-11(6-9)21(20)8-14(19)18-13-5-4-10(16)7-12(13)17/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide?
N-(2-amino-4-chlorophenyl)-2-(3-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-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide is sourced from PubChem (CID 62646858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).