4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide

C14H10BrFN2O2S — CID 60823914

IUPAC4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)c2C#N)ccc1Br
InChIInChI=1S/C14H10BrFN2O2S/c1-9-7-10(5-6-12(9)15)21(19,20)18-14-4-2-3-13(16)11(14)8-17/h2-7,18H,1H3
InChIKeyKDAQFZCHKOMDRY-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.57
Rot. Bonds3

About 4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide

4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide (PubChem CID 60823914) has the molecular formula C14H10BrFN2O2S and a molecular weight of 369.22 g/mol. Its IUPAC name is 4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
PubChem CID60823914
Molecular FormulaC14H10BrFN2O2S
Molecular Weight369.22 g/mol
Exact Mass367.96
IUPAC Name4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cccc(F)c2C#N)ccc1Br
InChIInChI=1S/C14H10BrFN2O2S/c1-9-7-10(5-6-12(9)15)21(19,20)18-14-4-2-3-13(16)11(14)8-17/h2-7,18H,1H3
InChIKeyKDAQFZCHKOMDRY-UHFFFAOYSA-N
XLogP3.57
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-bromo-N-(2-cyano-3-fluorophenyl)benzenesulfonamide
CID 115328819
N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide
CID 43580569
5-bromo-N-(2-cyano-3-fluorophenyl)-4-methylthiophene-2-sulfonamide
CID 79989335
4-amino-N-(2-cyano-3-fluorophenyl)-3-fluorobenzenesulfonamide
CID 82845262
4-amino-3-bromo-N-(2-cyano-3-methylphenyl)benzenesulfonamide
CID 107802523
4-bromo-N-(5-bromo-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 60824396
5-amino-N-(2-cyano-3-fluorophenyl)-2-methylbenzenesulfonamide
CID 43580304
3-bromo-N-(2-cyano-3-fluorophenyl)thiophene-2-sulfonamide
CID 61458187
4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43580595
4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
CID 7938634
3-amino-4-bromo-N-(3-fluoro-2-methylphenyl)benzenesulfonamide
CID 115329158
4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide (CID 60823914) is 4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cccc(F)c2C#N)ccc1Br.
What is the InChIKey of 4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide?
The InChIKey is KDAQFZCHKOMDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2S/c1-9-7-10(5-6-12(9)15)21(19,20)18-14-4-2-3-13(16)11(14)8-17/h2-7,18H,1H3.
What are the key properties of 4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide?
4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide has a molecular weight of 369.22 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cyano-3-fluorophenyl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 60823914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).