N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide

C14H13BrFNO2S — CID 115663206

IUPACN-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H13BrFNO2S/c1-9-3-4-10(2)14(7-9)20(18,19)17-11-5-6-13(16)12(15)8-11/h3-8,17H,1-2H3
InChIKeyZPGMHMNIVPXXMP-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.01
Rot. Bonds3

About N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide

N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 115663206) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID115663206
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC NameN-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(F)c(Br)c2)c1
InChIInChI=1S/C14H13BrFNO2S/c1-9-3-4-10(2)14(7-9)20(18,19)17-11-5-6-13(16)12(15)8-11/h3-8,17H,1-2H3
InChIKeyZPGMHMNIVPXXMP-UHFFFAOYSA-N
XLogP4.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 793232
5-amino-N-(3-bromo-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104775506
2,5-dibromo-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104779619
N-[5-[(2,5-dimethylphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656726
5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 8514846
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
2-bromo-N-(4-bromo-3-fluorophenyl)-4-methylbenzenesulfonamide
CID 65436218
3-amino-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104775518
4-bromo-2,5-difluoro-N-(4-methylphenyl)benzenesulfonamide
CID 2809184
N-(4-bromo-2-fluorophenyl)-4-[(2,5-dimethylphenyl)sulfonylamino]benzamide
CID 2213935
2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774539

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide (CID 115663206) is N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(F)c(Br)c2)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is ZPGMHMNIVPXXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-9-3-4-10(2)14(7-9)20(18,19)17-11-5-6-13(16)12(15)8-11/h3-8,17H,1-2H3.
What are the key properties of N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 358.23 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 115663206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).