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

C14H12BrClN2O2S — CID 61287005

IUPACN-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide
SMILESNc1ccc(Cl)c(NC(=O)CS(=O)c2ccccc2Br)c1
InChIInChI=1S/C14H12BrClN2O2S/c15-10-3-1-2-4-13(10)21(20)8-14(19)18-12-7-9(17)5-6-11(12)16/h1-7H,8,17H2,(H,18,19)
InChIKeyWWZYFRFYDPDWRN-UHFFFAOYSA-N
MW387.69 g/mol
LogP3.43
Rot. Bonds4

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

N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide (PubChem CID 61287005) has the molecular formula C14H12BrClN2O2S and a molecular weight of 387.69 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide
PubChem CID61287005
Molecular FormulaC14H12BrClN2O2S
Molecular Weight387.69 g/mol
Exact Mass385.95
IUPAC NameN-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide
SMILESNc1ccc(Cl)c(NC(=O)CS(=O)c2ccccc2Br)c1
InChIInChI=1S/C14H12BrClN2O2S/c15-10-3-1-2-4-13(10)21(20)8-14(19)18-12-7-9(17)5-6-11(12)16/h1-7H,8,17H2,(H,18,19)
InChIKeyWWZYFRFYDPDWRN-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

2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81201202
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-methylphenyl)acetamide
CID 81202410
N-(5-amino-2-chlorophenyl)-2-tert-butylsulfinylacetamide
CID 61303832
N-(5-amino-2-fluorophenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61301651
N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61301611
N-(5-amino-2-chlorophenyl)-2-(2-chlorophenyl)acetamide
CID 43548799
N-(4-amino-2-methylphenyl)-2-(2-methylphenyl)sulfinylacetamide
CID 61287855
N-(5-amino-2-methylphenyl)-2-(2-fluorophenyl)sulfinylacetamide
CID 61302033
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61302386
N-(5-amino-2-chlorophenyl)-2-(cyclopentylmethylsulfinyl)acetamide
CID 63119546
N-[4-(aminomethyl)phenyl]-2-(2-bromophenyl)sulfinylacetamide
CID 81329238
2-(4-amino-2-bromophenyl)sulfinyl-N-carbamoylacetamide
CID 82835026

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide (CID 61287005) is N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide is Nc1ccc(Cl)c(NC(=O)CS(=O)c2ccccc2Br)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide?
The InChIKey is WWZYFRFYDPDWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2S/c15-10-3-1-2-4-13(10)21(20)8-14(19)18-12-7-9(17)5-6-11(12)16/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide?
N-(5-amino-2-chlorophenyl)-2-(2-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-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide is sourced from PubChem (CID 61287005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).