2-bromo-3-fluoro-5-methylbenzenesulfonamide

C7H7BrFNO2S — CID 131564870

IUPAC2-bromo-3-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(F)c(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H7BrFNO2S/c1-4-2-5(9)7(8)6(3-4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyWEVHZEJUVWQGNZ-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.54
Rot. Bonds1

About 2-bromo-3-fluoro-5-methylbenzenesulfonamide

2-bromo-3-fluoro-5-methylbenzenesulfonamide (PubChem CID 131564870) has the molecular formula C7H7BrFNO2S and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-bromo-3-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-5-methylbenzenesulfonamide
PubChem CID131564870
Molecular FormulaC7H7BrFNO2S
Molecular Weight268.11 g/mol
Exact Mass266.94
IUPAC Name2-bromo-3-fluoro-5-methylbenzenesulfonamide
SMILESCc1cc(F)c(Br)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H7BrFNO2S/c1-4-2-5(9)7(8)6(3-4)13(10,11)12/h2-3H,1H3,(H2,10,11,12)
InChIKeyWEVHZEJUVWQGNZ-UHFFFAOYSA-N
XLogP1.54
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-Bromophenyl)difluoromethanesulfonamide
CID 44405186
5-Bromo-2-methylbenzene-1-sulfonamide
CID 2446821
2-Bromo-4-(trifluoromethyl)benzenesulfonamide
CID 2778398
4-Bromo-3-(trifluoromethyl)benzenesulfonamide
CID 2778389
4-Bromo-3-methylbenzenesulfonamide
CID 2737409
2-Bromo-5-(trifluoromethyl)benzene-1-sulfonyl chloride
CID 2778613
2-Bromo-5-methylbenzene-1-sulfonamide
CID 14664790
2-Bromo-5-methylbenzene-1-sulfonyl chloride
CID 15155338
5-Bromo-4-fluoro-2-methylbenzene-1-sulfonyl chloride
CID 50998616
2-Bromo-3-methylbenzene-1-sulfonyl chloride
CID 50999485
(4-Bromo-2-fluorophenyl)methanesulfonamide
CID 61064587
6-Bromo-2-fluoro-3-(trifluoromethyl)benzene-1-sulfonylfluoride
CID 165672541

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-3-fluoro-5-methylbenzenesulfonamide (CID 131564870) is 2-bromo-3-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-3-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-3-fluoro-5-methylbenzenesulfonamide is Cc1cc(F)c(Br)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-bromo-3-fluoro-5-methylbenzenesulfonamide?
The InChIKey is WEVHZEJUVWQGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrFNO2S/c1-4-2-5(9)7(8)6(3-4)13(10,11)12/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 2-bromo-3-fluoro-5-methylbenzenesulfonamide?
2-bromo-3-fluoro-5-methylbenzenesulfonamide has a molecular weight of 268.11 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 131564870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).