N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide

C13H11BrFNO2S — CID 7938529

IUPACN-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H11BrFNO2S/c1-9-8-10(14)6-7-12(9)16-19(17,18)13-5-3-2-4-11(13)15/h2-8,16H,1H3
InChIKeyCKUAHXKHRYQGLP-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.70
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide

N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 7938529) has the molecular formula C13H11BrFNO2S and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
PubChem CID7938529
Molecular FormulaC13H11BrFNO2S
Molecular Weight344.21 g/mol
Exact Mass342.97
IUPAC NameN-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cc(Br)ccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H11BrFNO2S/c1-9-8-10(14)6-7-12(9)16-19(17,18)13-5-3-2-4-11(13)15/h2-8,16H,1H3
InChIKeyCKUAHXKHRYQGLP-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
N-(4-bromo-2-ethylphenyl)-2-fluorobenzenesulfonamide
CID 80974925
N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667
2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 60640802
N-(5-bromo-2-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 47310958
N-(2-bromo-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 28939220
N-(6-bromo-2-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 113349565
5-bromo-2-[(2-fluorophenyl)sulfonylamino]benzenecarbothioamide
CID 82694314
2-amino-N-(4-bromo-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 60986250
N-(4-bromo-2-methylphenyl)-3,5-difluorobenzenesulfonamide
CID 46800107
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
N-(3-bromophenyl)-2-fluorobenzenesulfonamide
CID 4788445

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide (CID 7938529) is N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide is Cc1cc(Br)ccc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is CKUAHXKHRYQGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrFNO2S/c1-9-8-10(14)6-7-12(9)16-19(17,18)13-5-3-2-4-11(13)15/h2-8,16H,1H3.
What are the key properties of N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide?
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 344.21 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 7938529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).