2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide

C10H11BrClNO3S — CID 107902980

IUPAC2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide
SMILESCC(Br)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C10H11BrClNO3S/c1-6(11)10(14)13-9-5-7(17(2,15)16)3-4-8(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyZYSPAQJPKHIENH-UHFFFAOYSA-N
MW340.63 g/mol
LogP2.47
Rot. Bonds3

About 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide

2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide (PubChem CID 107902980) has the molecular formula C10H11BrClNO3S and a molecular weight of 340.63 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide
PubChem CID107902980
Molecular FormulaC10H11BrClNO3S
Molecular Weight340.63 g/mol
Exact Mass338.93
IUPAC Name2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide
SMILESCC(Br)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C10H11BrClNO3S/c1-6(11)10(14)13-9-5-7(17(2,15)16)3-4-8(9)12/h3-6H,1-2H3,(H,13,14)
InChIKeyZYSPAQJPKHIENH-UHFFFAOYSA-N
XLogP2.47
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.63
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide
CID 113218224
(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 79025267
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950
2-(aminomethyl)-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 65225878
3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 54924414
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
4-amino-N-(2-chloro-5-methylsulfonylphenyl)-3-methylbutanamide
CID 81076001
N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 60629893
N-(2-chloro-5-methylsulfonylphenyl)benzamide
CID 8913636
1-(2-chloro-5-methylsulfonylphenyl)-3-(4-phenylbutan-2-yl)urea
CID 51115168
N-(2-chloro-5-methylsulfonylphenyl)-3-methylbenzamide
CID 8913728

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide?
The IUPAC name of 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide (CID 107902980) is 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide?
The canonical SMILES for 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide is CC(Br)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide?
The InChIKey is ZYSPAQJPKHIENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO3S/c1-6(11)10(14)13-9-5-7(17(2,15)16)3-4-8(9)12/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide?
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide has a molecular weight of 340.63 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 107902980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).