N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide

C13H17BrFNO2S — CID 65431066

IUPACN-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C13H17BrFNO2S/c14-12-7-6-11(8-13(12)15)16-19(17,18)9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyKAIKMCBUXRDCPN-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.91
Rot. Bonds4

About N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide

N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide (PubChem CID 65431066) has the molecular formula C13H17BrFNO2S and a molecular weight of 350.25 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide
PubChem CID65431066
Molecular FormulaC13H17BrFNO2S
Molecular Weight350.25 g/mol
Exact Mass349.01
IUPAC NameN-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide
SMILESO=S(=O)(CC1CCCCC1)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C13H17BrFNO2S/c14-12-7-6-11(8-13(12)15)16-19(17,18)9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2
InChIKeyKAIKMCBUXRDCPN-UHFFFAOYSA-N
XLogP3.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide
CID 79767508
N-(3-bromo-4-fluorophenyl)-1-piperidin-4-ylmethanesulfonamide
CID 104779838
N-(2-bromo-6-chloro-4-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 107612698
N-(4-bromo-3-fluorophenyl)-1-phenylmethanesulfonamide
CID 65430137
N-(5-amino-2-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 61453724
N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide
CID 61454090
1-cyclohexyl-N-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 61453827
N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide
CID 107613659
5-(cyclohexylmethylsulfonylamino)-2-methylbenzoic acid
CID 63653860
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
CID 116816273
N-(4-bromo-3-fluorophenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106067092
N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide
CID 79048598

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide (CID 65431066) is N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide is O=S(=O)(CC1CCCCC1)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is KAIKMCBUXRDCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2S/c14-12-7-6-11(8-13(12)15)16-19(17,18)9-10-4-2-1-3-5-10/h6-8,10,16H,1-5,9H2.
What are the key properties of N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide?
N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide has a molecular weight of 350.25 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 65431066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).