N-[(4-bromo-3-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide

C11H15BrFNO2S — CID 71979168

IUPACN-[(4-bromo-3-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO2S/c1-3-6-17(15,16)14(2)8-9-4-5-10(12)11(13)7-9/h4-5,7H,3,6,8H2,1-2H3
InChIKeyFCNYWOMLBSPELK-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.76
Rot. Bonds5

About N-[(4-bromo-3-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide

N-[(4-bromo-3-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide (PubChem CID 71979168) has the molecular formula C11H15BrFNO2S and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[(4-bromo-3-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-bromo-3-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide
PubChem CID71979168
Molecular FormulaC11H15BrFNO2S
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC NameN-[(4-bromo-3-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C11H15BrFNO2S/c1-3-6-17(15,16)14(2)8-9-4-5-10(12)11(13)7-9/h4-5,7H,3,6,8H2,1-2H3
InChIKeyFCNYWOMLBSPELK-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide?
The IUPAC name of N-[(4-bromo-3-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide (CID 71979168) is N-[(4-bromo-3-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-[(4-bromo-3-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-[(4-bromo-3-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)Cc1ccc(Br)c(F)c1.
What is the InChIKey of N-[(4-bromo-3-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide?
The InChIKey is FCNYWOMLBSPELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2S/c1-3-6-17(15,16)14(2)8-9-4-5-10(12)11(13)7-9/h4-5,7H,3,6,8H2,1-2H3.
What are the key properties of N-[(4-bromo-3-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide?
N-[(4-bromo-3-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-[(4-bromo-3-fluorophenyl)methyl]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 71979168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).