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

C14H12BrClN2O2S — CID 61301611

IUPACN-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide
SMILESNc1ccc(NC(=O)CS(=O)c2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C14H12BrClN2O2S/c15-12-7-10(17)3-6-13(12)18-14(19)8-21(20)11-4-1-9(16)2-5-11/h1-7H,8,17H2,(H,18,19)
InChIKeyNFCJGIGVXGOIIH-UHFFFAOYSA-N
MW387.69 g/mol
LogP3.43
Rot. Bonds4

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

N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide (PubChem CID 61301611) has the molecular formula C14H12BrClN2O2S and a molecular weight of 387.69 g/mol. Its IUPAC name is N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide.

Molecular Properties

Compound NameN-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide
PubChem CID61301611
Molecular FormulaC14H12BrClN2O2S
Molecular Weight387.69 g/mol
Exact Mass385.95
IUPAC NameN-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide
SMILESNc1ccc(NC(=O)CS(=O)c2ccc(Cl)cc2)c(Br)c1
InChIInChI=1S/C14H12BrClN2O2S/c15-12-7-10(17)3-6-13(12)18-14(19)8-21(20)11-4-1-9(16)2-5-11/h1-7H,8,17H2,(H,18,19)
InChIKeyNFCJGIGVXGOIIH-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-(4-amino-2-chlorophenyl)-2-(4-chlorophenyl)sulfinylacetamide
CID 61302386
N-(2-amino-5-chlorophenyl)-2-(4-bromophenyl)sulfinylacetamide
CID 61287409
N-(2-amino-4-chlorophenyl)-2-(4-fluorophenyl)sulfinylacetamide
CID 61301818
N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide
CID 61287005
N-(2-amino-4-chlorophenyl)-2-(3-chlorophenyl)sulfinylacetamide
CID 62646858
N-(4-amino-2-bromophenyl)butanamide
CID 43549445
N-(4-amino-2-chlorophenyl)-2-methylsulfinylacetamide
CID 61287457
N-(4-amino-2-bromophenyl)pentanamide
CID 43549447
2-(5-amino-2-chlorophenyl)sulfinyl-N-(2-chlorophenyl)acetamide
CID 81201202
3-(4-aminophenoxy)-N-(2-bromo-4-chlorophenyl)propanamide
CID 81252231
N-(4-amino-2-bromophenyl)-3-methylpentanamide
CID 114873501
N-(4-aminophenyl)-3-(4-chlorophenyl)sulfinylpropanamide
CID 61302979

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide?
The IUPAC name of N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide (CID 61301611) is N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide.
What is the SMILES notation for N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide?
The canonical SMILES for N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide is Nc1ccc(NC(=O)CS(=O)c2ccc(Cl)cc2)c(Br)c1.
What is the InChIKey of N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide?
The InChIKey is NFCJGIGVXGOIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2S/c15-12-7-10(17)3-6-13(12)18-14(19)8-21(20)11-4-1-9(16)2-5-11/h1-7H,8,17H2,(H,18,19).
What are the key properties of N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide?
N-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)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-(4-amino-2-bromophenyl)-2-(4-chlorophenyl)sulfinylacetamide is sourced from PubChem (CID 61301611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).