N-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide

C11H15BrFNO2S — CID 75497084

IUPACN-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)Cc1c(F)cccc1Br
InChIInChI=1S/C11H15BrFNO2S/c1-3-7-17(15,16)14(2)8-9-10(12)5-4-6-11(9)13/h4-6H,3,7-8H2,1-2H3
InChIKeyQRGBYFBWTSZUTM-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.76
Rot. Bonds5

About N-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide

N-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide (PubChem CID 75497084) has the molecular formula C11H15BrFNO2S and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide
PubChem CID75497084
Molecular FormulaC11H15BrFNO2S
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC NameN-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)Cc1c(F)cccc1Br
InChIInChI=1S/C11H15BrFNO2S/c1-3-7-17(15,16)14(2)8-9-10(12)5-4-6-11(9)13/h4-6H,3,7-8H2,1-2H3
InChIKeyQRGBYFBWTSZUTM-UHFFFAOYSA-N
XLogP2.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromobenzyl)methanesulfonamide
CID 17383997
5-[(2-Bromophenyl)methyl]-1,4,5-oxathiazocane 4,4-dioxide
CID 24789351
2-(4-Bromobenzyl)isothiazolidine 1,1-dioxide
CID 47176171
N-[(4-bromophenyl)methyl]-N-methylmethanesulfonamide
CID 60681431
1-[(2-Bromo-4-fluorophenyl)methyl]-4-methylsulfonylpiperazine
CID 30270179
2-[(2-Bromo-5-fluorophenyl)methyl]-1,5,2-dithiazepane 1,1-dioxide
CID 53240189
N-(4-fluorobenzyl)-N-methylmethanesulfonamide
CID 60681387
N-[2-[(2-bromo-5-fluorophenyl)methylamino]ethyl]ethanesulfonamide
CID 71906873
N-[3-[(2-bromo-5-fluorophenyl)methylamino]propyl]methanesulfonamide
CID 75434778
N-[(4-bromophenyl)methyl]-2-(dimethylamino)ethanesulfonamide
CID 76328428
N-[(2-bromo-5-fluorophenyl)methyl]-3-methylsulfinylpropan-1-amine
CID 84592361
N-[(4-bromophenyl)methyl]-N-prop-2-ynylmethanesulfonamide
CID 155560227

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide (CID 75497084) is N-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)Cc1c(F)cccc1Br.
What is the InChIKey of N-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide?
The InChIKey is QRGBYFBWTSZUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2S/c1-3-7-17(15,16)14(2)8-9-10(12)5-4-6-11(9)13/h4-6H,3,7-8H2,1-2H3.
What are the key properties of N-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide?
N-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide has a molecular weight of 324.22 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-6-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 75497084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).