N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide

C12H15BrFNO2S — CID 61066206

IUPACN-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Br)C1CCCCC1
InChIInChI=1S/C12H15BrFNO2S/c13-11-8-9(14)6-7-12(11)15-18(16,17)10-4-2-1-3-5-10/h6-8,10,15H,1-5H2
InChIKeyLBYLZKFSJMMPOK-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.66
Rot. Bonds3

About N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide

N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide (PubChem CID 61066206) has the molecular formula C12H15BrFNO2S and a molecular weight of 336.23 g/mol. Its IUPAC name is N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
PubChem CID61066206
Molecular FormulaC12H15BrFNO2S
Molecular Weight336.23 g/mol
Exact Mass335.00
IUPAC NameN-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Br)C1CCCCC1
InChIInChI=1S/C12H15BrFNO2S/c13-11-8-9(14)6-7-12(11)15-18(16,17)10-4-2-1-3-5-10/h6-8,10,15H,1-5H2
InChIKeyLBYLZKFSJMMPOK-UHFFFAOYSA-N
XLogP3.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-fluorophenyl)-1,1-dioxothiane-4-sulfonamide
CID 62085486
N-(2-bromo-4-fluorophenyl)piperidine-3-sulfonamide
CID 54972062
3-bromo-4-(cyclopentylsulfonylamino)benzenesulfonamide
CID 114447917
N-(5-fluoro-2-hydroxyphenyl)cyclohexanesulfonamide
CID 64795142
N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide
CID 82015241
N-(5-fluoro-2-hydroxyphenyl)cyclopentanesulfonamide
CID 105361240
N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide
CID 103580550
N-(2-bromo-5-fluorophenyl)piperidine-4-sulfonamide
CID 107626850
N-(2-bromo-4-fluorophenyl)cyclooctanamine
CID 28939094
N-(5-amino-2-bromo-4-methylphenyl)cyclohexanesulfonamide
CID 104814646
N-(2-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 28939191
N-[4-fluoro-2-(4-hydroxybut-1-ynyl)phenyl]cyclopentanesulfonamide
CID 105361499

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide?
The IUPAC name of N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide (CID 61066206) is N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide?
The canonical SMILES for N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide is O=S(=O)(Nc1ccc(F)cc1Br)C1CCCCC1.
What is the InChIKey of N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide?
The InChIKey is LBYLZKFSJMMPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2S/c13-11-8-9(14)6-7-12(11)15-18(16,17)10-4-2-1-3-5-10/h6-8,10,15H,1-5H2.
What are the key properties of N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide?
N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide has a molecular weight of 336.23 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-fluorophenyl)cyclohexanesulfonamide is sourced from PubChem (CID 61066206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).