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

C14H10BrFN2O2S — CID 62316181

IUPAC5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C14H10BrFN2O2S/c1-9-2-3-11(15)7-14(9)21(19,20)18-12-4-5-13(16)10(6-12)8-17/h2-7,18H,1H3
InChIKeyBQODZIYMLZXFPX-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.57
Rot. Bonds3

About 5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide

5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide (PubChem CID 62316181) has the molecular formula C14H10BrFN2O2S and a molecular weight of 369.22 g/mol. Its IUPAC name is 5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide
PubChem CID62316181
Molecular FormulaC14H10BrFN2O2S
Molecular Weight369.22 g/mol
Exact Mass367.96
IUPAC Name5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)c(C#N)c1
InChIInChI=1S/C14H10BrFN2O2S/c1-9-2-3-11(15)7-14(9)21(19,20)18-12-4-5-13(16)10(6-12)8-17/h2-7,18H,1H3
InChIKeyBQODZIYMLZXFPX-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

N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62317386
5-bromo-2-methyl-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62813296
5-bromo-N-(2-cyanophenyl)-2-methylbenzenesulfonamide
CID 8513690
5-bromo-N-(3-cyano-4-fluorophenyl)thiophene-2-sulfonamide
CID 62317032
N-(3-cyano-4-fluorophenyl)-2-(methylamino)benzenesulfonamide
CID 62317403
5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide
CID 61217111
5-bromo-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 8514846
3-[(3-cyano-4-fluorophenyl)sulfamoyl]-5-fluoro-4-methylbenzoic acid
CID 71880894
N-(3-bromo-4-fluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 115663206
5-bromo-N-(2-fluoro-6-methylphenyl)-2-methylbenzenesulfonamide
CID 104705322
5-bromo-2-methyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 60661360
5-bromo-N-(2-bromo-4-cyanophenyl)-2-methylbenzenesulfonamide
CID 61217646

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide (CID 62316181) is 5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(F)c(C#N)c1.
What is the InChIKey of 5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide?
The InChIKey is BQODZIYMLZXFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2S/c1-9-2-3-11(15)7-14(9)21(19,20)18-12-4-5-13(16)10(6-12)8-17/h2-7,18H,1H3.
What are the key properties of 5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide?
5-bromo-N-(3-cyano-4-fluorophenyl)-2-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 5-bromo-N-(3-cyano-4-fluorophenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 62316181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).