4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide

C14H19BrFNO2S — CID 103697325

IUPAC4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C14H19BrFNO2S/c1-10-4-3-5-11(8-10)17(2)20(18,19)12-6-7-13(15)14(16)9-12/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyWOSHCGBGHMRLMU-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.79
Rot. Bonds3

About 4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide

4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide (PubChem CID 103697325) has the molecular formula C14H19BrFNO2S and a molecular weight of 364.28 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
PubChem CID103697325
Molecular FormulaC14H19BrFNO2S
Molecular Weight364.28 g/mol
Exact Mass363.03
IUPAC Name4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
SMILESCC1CCCC(N(C)S(=O)(=O)c2ccc(Br)c(F)c2)C1
InChIInChI=1S/C14H19BrFNO2S/c1-10-4-3-5-11(8-10)17(2)20(18,19)12-6-7-13(15)14(16)9-12/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyWOSHCGBGHMRLMU-UHFFFAOYSA-N
XLogP3.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 63289031
4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 103828881
N-methyl-N-(3-methylcyclohexyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421962
4-amino-2,6-dibromo-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61444933
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406
4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675801
4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
CID 42997513
3-(aminomethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 61446778
4-[methyl-(3-methylcyclohexyl)sulfamoyl]benzenecarbothioamide
CID 61446796
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide
CID 79178566
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
4-bromo-3-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 107650249

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide (CID 103697325) is 4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide is CC1CCCC(N(C)S(=O)(=O)c2ccc(Br)c(F)c2)C1.
What is the InChIKey of 4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
The InChIKey is WOSHCGBGHMRLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2S/c1-10-4-3-5-11(8-10)17(2)20(18,19)12-6-7-13(15)14(16)9-12/h6-7,9-11H,3-5,8H2,1-2H3.
What are the key properties of 4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide?
4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide has a molecular weight of 364.28 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-methyl-N-(3-methylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 103697325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).