N-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide

C12H14BrClFNO2S — CID 104922656

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(F)cc1Br)C1CCCCC1
InChIInChI=1S/C12H14BrClFNO2S/c13-10-6-8(15)7-11(14)12(10)16-19(17,18)9-4-2-1-3-5-9/h6-7,9,16H,1-5H2
InChIKeyKHUJNOHRSZPACK-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.32
Rot. Bonds3

About N-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide (PubChem CID 104922656) has the molecular formula C12H14BrClFNO2S and a molecular weight of 370.67 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide
PubChem CID104922656
Molecular FormulaC12H14BrClFNO2S
Molecular Weight370.67 g/mol
Exact Mass368.96
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(F)cc1Br)C1CCCCC1
InChIInChI=1S/C12H14BrClFNO2S/c13-10-6-8(15)7-11(14)12(10)16-19(17,18)9-4-2-1-3-5-9/h6-7,9,16H,1-5H2
InChIKeyKHUJNOHRSZPACK-UHFFFAOYSA-N
XLogP4.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 4844517
N-(4-bromo-2-chlorophenyl)ethanesulfonamide
CID 17374358
N-(2-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 28939218
N-(3-bromo-5-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 69810002
N-(2-bromo-4-chloro-6-fluorophenyl)methanesulfonamide
CID 89773707
N-(2-bromo-6-chloro-4-fluorophenyl)methanesulfonamide
CID 89775133
N-(3-bromo-2-chloro-4-fluorophenyl)propane-1-sulfonamide
CID 122512209
N-(3-bromo-2-chloro-5-fluorophenyl)-3-fluoropropane-1-sulfonamide
CID 155434841
N-(3-bromo-2-chloro-5-fluorophenyl)propane-1-sulfonamide
CID 155434953
N-(3-bromo-5-chloro-2-fluorophenyl)butane-2-sulfonamide
CID 172569909
N-(3-bromo-5-chloro-2-fluorophenyl)cyclopentanesulfonamide
CID 178178713
N-(2-bromo-4-fluorophenyl)-2-chlorobenzenesulfonamide
CID 3729734

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide (CID 104922656) is N-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide is O=S(=O)(Nc1c(Cl)cc(F)cc1Br)C1CCCCC1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide?
The InChIKey is KHUJNOHRSZPACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClFNO2S/c13-10-6-8(15)7-11(14)12(10)16-19(17,18)9-4-2-1-3-5-9/h6-7,9,16H,1-5H2.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide has a molecular weight of 370.67 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)cyclohexanesulfonamide is sourced from PubChem (CID 104922656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).