N-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide

C10H11BrClNO3S — CID 174384070

IUPACN-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide
SMILESCCC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1Br
InChIInChI=1S/C10H11BrClNO3S/c1-3-8(14)6-4-5-7(12)10(9(6)11)13-17(2,15)16/h4-5,13H,3H2,1-2H3
InChIKeyGFUXSFKJXTZTCW-UHFFFAOYSA-N
MW340.63 g/mol
LogP3.07
Rot. Bonds4

About N-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide

N-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide (PubChem CID 174384070) has the molecular formula C10H11BrClNO3S and a molecular weight of 340.63 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide
PubChem CID174384070
Molecular FormulaC10H11BrClNO3S
Molecular Weight340.63 g/mol
Exact Mass338.93
IUPAC NameN-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide
SMILESCCC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1Br
InChIInChI=1S/C10H11BrClNO3S/c1-3-8(14)6-4-5-7(12)10(9(6)11)13-17(2,15)16/h4-5,13H,3H2,1-2H3
InChIKeyGFUXSFKJXTZTCW-UHFFFAOYSA-N
XLogP3.07
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.63
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-3-propanoylphenyl)methanesulfonamide
CID 174353531
N-(2-chloro-3-propanoylphenyl)methanesulfonamide
CID 70986123
N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane
CID 142910811
(2-bromo-6-fluoro-3-propanoylanilino)methanesulfinate
CID 174409019
1-(3,4-dichloro-2-hydroxyphenyl)propan-1-one
CID 50987811
N-(2-bromo-5-propanoylphenyl)methanesulfonamide
CID 174428060
1-(2-bromo-4-methylsulfonylphenyl)propan-1-one
CID 174296719
2-bromo-N-[2-[4-chloro-2-hydroxy-3-(methanesulfonamido)phenyl]ethyl]acetamide
CID 70116616
N-tert-butyl-4-chloro-3-propanoylbenzenesulfonamide
CID 70967988
2-bromo-1-(2-bromo-3,4-dichlorophenyl)ethanone
CID 171004805
1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
2-chloro-5-(methanesulfonamido)-N-[(2R)-pentan-2-yl]benzamide
CID 30397362

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide (CID 174384070) is N-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide is CCC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1Br.
What is the InChIKey of N-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide?
The InChIKey is GFUXSFKJXTZTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO3S/c1-3-8(14)6-4-5-7(12)10(9(6)11)13-17(2,15)16/h4-5,13H,3H2,1-2H3.
What are the key properties of N-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide?
N-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide has a molecular weight of 340.63 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide is sourced from PubChem (CID 174384070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).