N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide

C14H12BrClN2O2S — CID 61287409

IUPACN-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide
SMILESNc1ccc(Cl)cc1NC(=O)CS(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClN2O2S/c15-9-1-4-11(5-2-9)21(20)8-14(19)18-13-7-10(16)3-6-12(13)17/h1-7H,8,17H2,(H,18,19)
InChIKeyZDWORJVCMUPBOO-UHFFFAOYSA-N
MW387.69 g/mol
LogP3.43
Rot. Bonds4

About N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide

N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide (PubChem CID 61287409) has the molecular formula C14H12BrClN2O2S and a molecular weight of 387.69 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide
PubChem CID61287409
Molecular FormulaC14H12BrClN2O2S
Molecular Weight387.69 g/mol
Exact Mass385.95
IUPAC NameN-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide
SMILESNc1ccc(Cl)cc1NC(=O)CS(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClN2O2S/c15-9-1-4-11(5-2-9)21(20)8-14(19)18-13-7-10(16)3-6-12(13)17/h1-7H,8,17H2,(H,18,19)
InChIKeyZDWORJVCMUPBOO-UHFFFAOYSA-N
XLogP3.43
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.69
LogP ≤ 53.43
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-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61301611
N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide
CID 62646858
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61302386
N-(2-amino-5-chlorophenyl)-2-(5-bromo-2-oxo-1-pyridinyl)acetamide
CID 28532600
2-(4-bromophenyl)sulfinyl-1-(2,5-dichlorophenyl)ethanone
CID 64641310
N-(2-amino-5-chlorophenyl)-2-(2-methoxyethylsulfinyl)acetamide
CID 61287840
N-(2-amino-5-chlorophenyl)-2-phenylacetamide
CID 18071244
N-(2-amino-5-chlorophenyl)-3,3-dimethylbutanamide
CID 16794866
N-(2-amino-5-chlorophenyl)-2,5-dibromobenzamide
CID 114367618
N-(2-amino-5-chlorophenyl)-5-bromo-2-fluorobenzamide
CID 24699699
N-(2-amino-5-chlorophenyl)-3-propan-2-ylsulfinylpropanamide
CID 61287045

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide (CID 61287409) is N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide is Nc1ccc(Cl)cc1NC(=O)CS(=O)c1ccc(Br)cc1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide?
The InChIKey is ZDWORJVCMUPBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2S/c15-9-1-4-11(5-2-9)21(20)8-14(19)18-13-7-10(16)3-6-12(13)17/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide?
N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide has a molecular weight of 387.69 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide is sourced from PubChem (CID 61287409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).