4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide

C13H10BrF2NO2S — CID 35940070

IUPAC4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)ccc1Br
InChIInChI=1S/C13H10BrF2NO2S/c1-8-4-12(2-3-13(8)14)20(18,19)17-11-6-9(15)5-10(16)7-11/h2-7,17H,1H3
InChIKeyWDCSCEJDFPIOSE-UHFFFAOYSA-N
MW362.20 g/mol
LogP3.84
Rot. Bonds3

About 4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide

4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide (PubChem CID 35940070) has the molecular formula C13H10BrF2NO2S and a molecular weight of 362.20 g/mol. Its IUPAC name is 4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
PubChem CID35940070
Molecular FormulaC13H10BrF2NO2S
Molecular Weight362.20 g/mol
Exact Mass360.96
IUPAC Name4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)ccc1Br
InChIInChI=1S/C13H10BrF2NO2S/c1-8-4-12(2-3-13(8)14)20(18,19)17-11-6-9(15)5-10(16)7-11/h2-7,17H,1H3
InChIKeyWDCSCEJDFPIOSE-UHFFFAOYSA-N
XLogP3.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.20
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
CID 7938634
4-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzenesulfonamide
CID 83078624
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
4-bromo-N-(3,5-difluorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 98000747
4-bromo-N-(2-chloro-4,6-difluorophenyl)-3-methylbenzenesulfonamide
CID 82886303
3-chloro-N-(3,5-difluorophenyl)-4-methylbenzenesulfonamide
CID 47309744
4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
CID 7938742
4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 60824396
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
4-bromo-N-(3-iodophenyl)-3-methylbenzenesulfonamide
CID 60640765
4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 24650335
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide (CID 35940070) is 4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cc(F)cc(F)c2)ccc1Br.
What is the InChIKey of 4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide?
The InChIKey is WDCSCEJDFPIOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO2S/c1-8-4-12(2-3-13(8)14)20(18,19)17-11-6-9(15)5-10(16)7-11/h2-7,17H,1H3.
What are the key properties of 4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide?
4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide has a molecular weight of 362.20 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 35940070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).