N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide

C14H10BrFN2O2S — CID 107600421

IUPACN-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)Nc2c(F)cccc2Br)cc1
InChIInChI=1S/C14H10BrFN2O2S/c15-12-2-1-3-13(16)14(12)18-21(19,20)9-11-6-4-10(8-17)5-7-11/h1-7,18H,9H2
InChIKeyHMUJXYDXZYIKKY-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.40
Rot. Bonds4

About N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide

N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide (PubChem CID 107600421) has the molecular formula C14H10BrFN2O2S and a molecular weight of 369.22 g/mol. Its IUPAC name is N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide
PubChem CID107600421
Molecular FormulaC14H10BrFN2O2S
Molecular Weight369.22 g/mol
Exact Mass367.96
IUPAC NameN-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide
SMILESN#Cc1ccc(CS(=O)(=O)Nc2c(F)cccc2Br)cc1
InChIInChI=1S/C14H10BrFN2O2S/c15-12-2-1-3-13(16)14(12)18-21(19,20)9-11-6-4-10(8-17)5-7-11/h1-7,18H,9H2
InChIKeyHMUJXYDXZYIKKY-UHFFFAOYSA-N
XLogP3.40
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-6-fluorophenyl)-1-[4-(hydroxymethyl)phenyl]methanesulfonamide
CID 106000006
1-(4-cyanophenyl)-N-(2-fluorophenyl)methanesulfonamide
CID 29298688
4-(2-bromo-6-fluoroanilino)benzonitrile
CID 107600374
N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide
CID 107602659
N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106089645
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
1-(4-cyanophenyl)-N-(2-hydroxyphenyl)methanesulfonamide
CID 29275128
2-(4-cyanophenyl)-N-(2,6-difluorophenyl)acetamide
CID 62403831
1-(4-cyanophenyl)-N-(6-methyl-2-pyridinyl)methanesulfonamide
CID 29049983
N-(2-bromo-4-cyanophenyl)-1-phenylmethanesulfonamide
CID 103580549
1-(4-cyanophenyl)-N-(3-methylsulfanylphenyl)methanesulfonamide
CID 28513945
N-(4-bromo-2-chlorophenyl)-1-(4-cyanophenyl)methanesulfonamide
CID 43237000

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide?
The IUPAC name of N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide (CID 107600421) is N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide?
The canonical SMILES for N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide is N#Cc1ccc(CS(=O)(=O)Nc2c(F)cccc2Br)cc1.
What is the InChIKey of N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide?
The InChIKey is HMUJXYDXZYIKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFN2O2S/c15-12-2-1-3-13(16)14(12)18-21(19,20)9-11-6-4-10(8-17)5-7-11/h1-7,18H,9H2.
What are the key properties of N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide?
N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide has a molecular weight of 369.22 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-fluorophenyl)-1-(4-cyanophenyl)methanesulfonamide is sourced from PubChem (CID 107600421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).