2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide

C11H15BrN2O2S — CID 82833724

IUPAC2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CS(=O)c1ccc(N)cc1Br
InChIInChI=1S/C11H15BrN2O2S/c1-7(2)14-11(15)6-17(16)10-4-3-8(13)5-9(10)12/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyRQZXDJIOPIIIBP-UHFFFAOYSA-N
MW319.22 g/mol
LogP1.66
Rot. Bonds4

About 2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide

2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide (PubChem CID 82833724) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide
PubChem CID82833724
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CS(=O)c1ccc(N)cc1Br
InChIInChI=1S/C11H15BrN2O2S/c1-7(2)14-11(15)6-17(16)10-4-3-8(13)5-9(10)12/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyRQZXDJIOPIIIBP-UHFFFAOYSA-N
XLogP1.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 51.66
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-(4-amino-2-bromophenyl)sulfinyl-N-carbamoylacetamide
CID 82835026
2-(4-amino-2-bromophenyl)sulfinyl-N-cyclopentylacetamide
CID 82833917
2-(4-amino-2-bromophenyl)sulfinyl-N-(4-methylphenyl)acetamide
CID 82839190
2-(4-amino-2-bromophenyl)sulfinyl-N-(cyclopropylmethyl)acetamide
CID 82833615
2-(4-amino-2-fluorophenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81191932
3-bromo-4-(3-methylbutylsulfinyl)aniline
CID 82834011
4-(4-amino-2-bromophenyl)sulfinyl-N-methylbutanamide
CID 82834836
3-(5-amino-2-methylphenyl)sulfinyl-N-propan-2-ylpropanamide
CID 81190771
2-[(4-amino-2-chlorophenyl)methylsulfinyl]-N-propan-2-ylacetamide
CID 114232500
3-bromo-4-(4,4-dimethylpentylsulfinyl)aniline
CID 114210698
3-bromo-4-(cyclopropylmethylsulfinyl)aniline
CID 82840606
N-(5-amino-2-chlorophenyl)-2-(2-bromophenyl)sulfinylacetamide
CID 61287005

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide (CID 82833724) is 2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide is CC(C)NC(=O)CS(=O)c1ccc(N)cc1Br.
What is the InChIKey of 2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide?
The InChIKey is RQZXDJIOPIIIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-7(2)14-11(15)6-17(16)10-4-3-8(13)5-9(10)12/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide?
2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide has a molecular weight of 319.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-bromophenyl)sulfinyl-N-propan-2-ylacetamide is sourced from PubChem (CID 82833724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).