4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide

C14H10BrFN2O2S — CID 107650335

IUPAC4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(c1ccccc1C#N)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H10BrFN2O2S/c1-18(14-5-3-2-4-10(14)9-17)21(19,20)11-6-7-12(15)13(16)8-11/h2-8H,1H3
InChIKeyGNMGEPQZILEHJB-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.28
Rot. Bonds3

About 4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide

4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 107650335) has the molecular formula C14H10BrFN2O2S and a molecular weight of 369.22 g/mol. Its IUPAC name is 4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide
PubChem CID107650335
Molecular FormulaC14H10BrFN2O2S
Molecular Weight369.22 g/mol
Exact Mass367.96
IUPAC Name4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(c1ccccc1C#N)S(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C14H10BrFN2O2S/c1-18(14-5-3-2-4-10(14)9-17)21(19,20)11-6-7-12(15)13(16)8-11/h2-8H,1H3
InChIKeyGNMGEPQZILEHJB-UHFFFAOYSA-N
XLogP3.28
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-(2-methoxyphenyl)-N-methylbenzenesulfonamide
CID 103697417
4-bromo-N-(4-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 107650281
4-bromo-N-(2,4-dimethylphenyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697429
4-bromo-N-(1-cyanopropan-2-yl)-3-fluoro-N-methylbenzenesulfonamide
CID 71997631
3-chloro-4-cyano-N-(2,6-difluorophenyl)-N-methylbenzenesulfonamide
CID 51092863
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221
3-cyano-4-fluoro-N-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 63235864
4-bromo-3-fluoro-N-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 103833706
4-bromo-3-fluoro-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 103697508
4-bromo-N-[(2-chlorophenyl)methyl]-3-fluoro-N-methylbenzenesulfonamide
CID 103697187
4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 51096183
N-(3-aminopropyl)-4-bromo-3-fluoro-N-methylbenzenesulfonamide
CID 103829034

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide (CID 107650335) is 4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide is CN(c1ccccc1C#N)S(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is GNMGEPQZILEHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2S/c1-18(14-5-3-2-4-10(14)9-17)21(19,20)11-6-7-12(15)13(16)8-11/h2-8H,1H3.
What are the key properties of 4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide?
4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 369.22 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cyanophenyl)-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 107650335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).