N-(3-amino-4-bromophenyl)ethanesulfinamide

C8H11BrN2OS — CID 130892447

IUPACN-(3-amino-4-bromophenyl)ethanesulfinamide
SMILESCCS(=O)Nc1ccc(Br)c(N)c1
InChIInChI=1S/C8H11BrN2OS/c1-2-13(12)11-6-3-4-7(9)8(10)5-6/h3-5,11H,2,10H2,1H3
InChIKeyCIWGOLREAGPLFR-UHFFFAOYSA-N
MW263.16 g/mol
LogP2.13
Rot. Bonds3

About N-(3-amino-4-bromophenyl)ethanesulfinamide

N-(3-amino-4-bromophenyl)ethanesulfinamide (PubChem CID 130892447) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)ethanesulfinamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)ethanesulfinamide
PubChem CID130892447
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC NameN-(3-amino-4-bromophenyl)ethanesulfinamide
SMILESCCS(=O)Nc1ccc(Br)c(N)c1
InChIInChI=1S/C8H11BrN2OS/c1-2-13(12)11-6-3-4-7(9)8(10)5-6/h3-5,11H,2,10H2,1H3
InChIKeyCIWGOLREAGPLFR-UHFFFAOYSA-N
XLogP2.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)ethanesulfinamide
CID 131021409
N-(3-amino-4-fluorophenyl)propane-1-sulfinamide
CID 130992661
N-(3-amino-4-bromophenyl)butanamide
CID 79768270
3-(3-amino-4-bromophenyl)-1,1-diethylurea
CID 79767901
N-(3-amino-4-bromophenyl)-2-methylsulfonylethanesulfonamide
CID 79768205
N-[4-bromo-3-(2,2-dimethylpropyl)phenyl]methanesulfinamide
CID 134485258
1-(3-amino-4-bromophenyl)butan-1-one
CID 130156193
2-bromo-5-ethylaniline;hydrochloride
CID 126796901
N-(3-amino-4-methylphenyl)methanesulfinamide
CID 130920981
ethyl 2-[(3-amino-4-bromophenyl)sulfamoyl]acetate
CID 79767666
(3-amino-4-bromophenyl) sulfite
CID 57196986
4-bromo-1-N-cyclopentylbenzene-1,3-diamine
CID 82934286

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)ethanesulfinamide?
The IUPAC name of N-(3-amino-4-bromophenyl)ethanesulfinamide (CID 130892447) is N-(3-amino-4-bromophenyl)ethanesulfinamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)ethanesulfinamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)ethanesulfinamide is CCS(=O)Nc1ccc(Br)c(N)c1.
What is the InChIKey of N-(3-amino-4-bromophenyl)ethanesulfinamide?
The InChIKey is CIWGOLREAGPLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c1-2-13(12)11-6-3-4-7(9)8(10)5-6/h3-5,11H,2,10H2,1H3.
What are the key properties of N-(3-amino-4-bromophenyl)ethanesulfinamide?
N-(3-amino-4-bromophenyl)ethanesulfinamide has a molecular weight of 263.16 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-bromophenyl)ethanesulfinamide is sourced from PubChem (CID 130892447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).