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

C10H12BrNO3S — CID 174353531

IUPACN-(2-bromo-3-propanoylphenyl)methanesulfonamide
SMILESCCC(=O)c1cccc(NS(C)(=O)=O)c1Br
InChIInChI=1S/C10H12BrNO3S/c1-3-9(13)7-5-4-6-8(10(7)11)12-16(2,14)15/h4-6,12H,3H2,1-2H3
InChIKeyNLRDAWIIVGDOCV-UHFFFAOYSA-N
MW306.18 g/mol
LogP2.41
Rot. Bonds4

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

N-(2-bromo-3-propanoylphenyl)methanesulfonamide (PubChem CID 174353531) has the molecular formula C10H12BrNO3S and a molecular weight of 306.18 g/mol. Its IUPAC name is N-(2-bromo-3-propanoylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-3-propanoylphenyl)methanesulfonamide
PubChem CID174353531
Molecular FormulaC10H12BrNO3S
Molecular Weight306.18 g/mol
Exact Mass304.97
IUPAC NameN-(2-bromo-3-propanoylphenyl)methanesulfonamide
SMILESCCC(=O)c1cccc(NS(C)(=O)=O)c1Br
InChIInChI=1S/C10H12BrNO3S/c1-3-9(13)7-5-4-6-8(10(7)11)12-16(2,14)15/h4-6,12H,3H2,1-2H3
InChIKeyNLRDAWIIVGDOCV-UHFFFAOYSA-N
XLogP2.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.18
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloro-3-propanoylphenyl)methanesulfonamide
CID 70986123
N-(2-bromo-6-chloro-3-propanoylphenyl)methanesulfonamide
CID 174384070
N-(2-bromo-5-propanoylphenyl)methanesulfonamide
CID 174428060
1-(2-bromo-3-propylphenyl)propan-1-one
CID 174502148
4-[2-(methanesulfonamido)phenyl]-4-oxobutanoic acid
CID 154453322
N-(3-acetyl-2-bromophenyl)hexadecane-1-sulfonamide
CID 70579694
N-(3-fluoro-4-propanoylphenyl)methanesulfonamide;propane
CID 142910811
N-(2-bromophenyl)-3-(methanesulfonamido)-2-methylbenzamide
CID 41448766
methyl 2-hydroxy-3-(methanesulfonamido)benzoate
CID 108783737
2-[2-(methanesulfonamido)phenyl]benzoate
CID 171730361
N-[(2R)-butan-2-yl]-2-(methanesulfonamido)benzamide
CID 967070
2-(2-bromo-3-propanoylphenyl)-2-hydroxyacetic acid
CID 119019109

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-propanoylphenyl)methanesulfonamide?
The IUPAC name of N-(2-bromo-3-propanoylphenyl)methanesulfonamide (CID 174353531) is N-(2-bromo-3-propanoylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromo-3-propanoylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-bromo-3-propanoylphenyl)methanesulfonamide is CCC(=O)c1cccc(NS(C)(=O)=O)c1Br.
What is the InChIKey of N-(2-bromo-3-propanoylphenyl)methanesulfonamide?
The InChIKey is NLRDAWIIVGDOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3S/c1-3-9(13)7-5-4-6-8(10(7)11)12-16(2,14)15/h4-6,12H,3H2,1-2H3.
What are the key properties of N-(2-bromo-3-propanoylphenyl)methanesulfonamide?
N-(2-bromo-3-propanoylphenyl)methanesulfonamide has a molecular weight of 306.18 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-propanoylphenyl)methanesulfonamide is sourced from PubChem (CID 174353531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).