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

C14H13BrFNO2S — CID 28941134

IUPACN-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2Br)c1
InChIInChI=1S/C14H13BrFNO2S/c1-9-3-4-10(2)14(7-9)20(18,19)17-13-6-5-11(16)8-12(13)15/h3-8,17H,1-2H3
InChIKeyOPBNNAWBLHGVSD-UHFFFAOYSA-N
MW358.23 g/mol
LogP4.01
Rot. Bonds3

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

N-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 28941134) has the molecular formula C14H13BrFNO2S and a molecular weight of 358.23 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
PubChem CID28941134
Molecular FormulaC14H13BrFNO2S
Molecular Weight358.23 g/mol
Exact Mass356.98
IUPAC NameN-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2Br)c1
InChIInChI=1S/C14H13BrFNO2S/c1-9-3-4-10(2)14(7-9)20(18,19)17-13-6-5-11(16)8-12(13)15/h3-8,17H,1-2H3
InChIKeyOPBNNAWBLHGVSD-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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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide (CID 28941134) is N-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(F)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is OPBNNAWBLHGVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO2S/c1-9-3-4-10(2)14(7-9)20(18,19)17-13-6-5-11(16)8-12(13)15/h3-8,17H,1-2H3.
What are the key properties of N-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide?
N-(2-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-(2-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 28941134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).