N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide

C13H16BrClFNO2S — CID 107612698

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H16BrClFNO2S/c14-11-6-10(16)7-12(15)13(11)17-20(18,19)8-9-4-2-1-3-5-9/h6-7,9,17H,1-5,8H2
InChIKeyIHUCPTYTINHIDT-UHFFFAOYSA-N
MW384.70 g/mol
LogP4.56
Rot. Bonds4

About N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide (PubChem CID 107612698) has the molecular formula C13H16BrClFNO2S and a molecular weight of 384.70 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide
PubChem CID107612698
Molecular FormulaC13H16BrClFNO2S
Molecular Weight384.70 g/mol
Exact Mass382.98
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C13H16BrClFNO2S/c14-11-6-10(16)7-12(15)13(11)17-20(18,19)8-9-4-2-1-3-5-9/h6-7,9,17H,1-5,8H2
InChIKeyIHUCPTYTINHIDT-UHFFFAOYSA-N
XLogP4.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.70
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyanomethanesulfonamide
CID 107612174
N-(2-bromo-6-chloro-4-fluorophenyl)butane-1-sulfonamide
CID 107095513
N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 65431066
N-(2-bromo-6-chloro-4-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106087709
N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide
CID 79767508
2-bromo-6-chloro-N-(1-cyclopropylpropan-2-yl)-4-fluoroaniline
CID 107610311
2-(cyclohexylmethylsulfonylamino)-3-fluorobenzoic acid
CID 81499032
N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide
CID 61454090
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922663
2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632
cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate
CID 112738568
N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 104922640

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide (CID 107612698) is N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide is O=S(=O)(CC1CCCCC1)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is IHUCPTYTINHIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClFNO2S/c14-11-6-10(16)7-12(15)13(11)17-20(18,19)8-9-4-2-1-3-5-9/h6-7,9,17H,1-5,8H2.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide has a molecular weight of 384.70 g/mol, XLogP of 4.56, 4 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)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 107612698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).