(4-bromo-2-fluorophenyl)methanesulfonamide

C7H7BrFNO2S — CID 61064587

IUPAC(4-bromo-2-fluorophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Br)cc1F
InChIInChI=1S/C7H7BrFNO2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyWLKLLSKEJDSZCJ-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.38
Rot. Bonds2

About (4-bromo-2-fluorophenyl)methanesulfonamide

(4-bromo-2-fluorophenyl)methanesulfonamide (PubChem CID 61064587) has the molecular formula C7H7BrFNO2S and a molecular weight of 268.11 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)methanesulfonamide
PubChem CID61064587
Molecular FormulaC7H7BrFNO2S
Molecular Weight268.11 g/mol
Exact Mass266.94
IUPAC Name(4-bromo-2-fluorophenyl)methanesulfonamide
SMILESNS(=O)(=O)Cc1ccc(Br)cc1F
InChIInChI=1S/C7H7BrFNO2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12)
InChIKeyWLKLLSKEJDSZCJ-UHFFFAOYSA-N
XLogP1.38
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromophenyl-difluoromethanesulfonamide
CID 11687831
(4-Bromophenyl)difluoromethanesulfonamide
CID 44405186
(2-Bromophenyl)difluoromethanesulfonamide
CID 44405179
(2-Fluorophenyl)methanesulfonamide
CID 22141435
(4-Bromophenyl)methanesulfonyl chloride
CID 598764
Sodium (4-bromophenyl)methanesulfinate
CID 124203230
(2,6-Difluorophenyl)methanesulfonamide
CID 54476729
1-Bromo-4-((methylsulfonyl)methyl)benzene
CID 2761415
1-(4-Bromophenyl)-N-propylmethanesulfonamide
CID 17741333
2-(4-Bromophenyl)ethene-1-sulfonyl fluoride
CID 132498775
(4-Bromo-2-fluorophenyl)methanethiol
CID 2761447
(3-bromophenyl)methanesulfonyl Chloride
CID 2761451

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)methanesulfonamide?
The IUPAC name of (4-bromo-2-fluorophenyl)methanesulfonamide (CID 61064587) is (4-bromo-2-fluorophenyl)methanesulfonamide.
What is the SMILES notation for (4-bromo-2-fluorophenyl)methanesulfonamide?
The canonical SMILES for (4-bromo-2-fluorophenyl)methanesulfonamide is NS(=O)(=O)Cc1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)methanesulfonamide?
The InChIKey is WLKLLSKEJDSZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO2S/c8-6-2-1-5(7(9)3-6)4-13(10,11)12/h1-3H,4H2,(H2,10,11,12).
What are the key properties of (4-bromo-2-fluorophenyl)methanesulfonamide?
(4-bromo-2-fluorophenyl)methanesulfonamide has a molecular weight of 268.11 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 61064587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).