N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide

C10H13BrFNO2S — CID 107592659

IUPACN-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C10H13BrFNO2S/c1-3-4-16(14,15)13-10-6-8(11)9(12)5-7(10)2/h5-6,13H,3-4H2,1-2H3
InChIKeyZFGFNFFKDZABBO-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.05
Rot. Bonds4

About N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide

N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide (PubChem CID 107592659) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide
PubChem CID107592659
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC NameN-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(Br)c(F)cc1C
InChIInChI=1S/C10H13BrFNO2S/c1-3-4-16(14,15)13-10-6-8(11)9(12)5-7(10)2/h5-6,13H,3-4H2,1-2H3
InChIKeyZFGFNFFKDZABBO-UHFFFAOYSA-N
XLogP3.05
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106087809
N-(4-bromo-5-fluoro-2-methylphenyl)-4-chlorobutane-1-sulfonamide
CID 116816604
N-(5-bromo-4-fluoro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 107592640
4-bromo-5-fluoro-2-methyl-N-(propylsulfamoyl)aniline
CID 114808991
N-(2-bromo-4,6-difluorophenyl)propane-1-sulfonamide
CID 60640147
1-amino-N-(5-bromo-4-fluoro-2-methylphenyl)propane-2-sulfonamide
CID 106087794
N-(2-fluoro-5-methylphenyl)propane-1-sulfonamide
CID 60641408
(5-bromo-4-fluoro-2-methylphenyl)hydrazine;ethane
CID 156888399
5-bromo-4-fluoro-2-methyl-N-nonylaniline
CID 107591959
5-bromo-4-fluoro-N-(2-methoxyethylsulfamoyl)-2-methylaniline
CID 107592648
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
5-bromo-2-methyl-4-(propylsulfonylamino)benzenesulfonyl chloride
CID 82757619

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide?
The IUPAC name of N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide (CID 107592659) is N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(Br)c(F)cc1C.
What is the InChIKey of N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide?
The InChIKey is ZFGFNFFKDZABBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-3-4-16(14,15)13-10-6-8(11)9(12)5-7(10)2/h5-6,13H,3-4H2,1-2H3.
What are the key properties of N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide?
N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide has a molecular weight of 310.19 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-fluoro-2-methylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 107592659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).