N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide

C13H19BrN2O2S — CID 79048598

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide
SMILESCc1nc(NS(=O)(=O)CC2CCCCC2)ccc1Br
InChIInChI=1S/C13H19BrN2O2S/c1-10-12(14)7-8-13(15-10)16-19(17,18)9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,15,16)
InChIKeySTIDBDSLOVYXHR-UHFFFAOYSA-N
MW347.28 g/mol
LogP3.47
Rot. Bonds4

About N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide

N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide (PubChem CID 79048598) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide
PubChem CID79048598
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide
SMILESCc1nc(NS(=O)(=O)CC2CCCCC2)ccc1Br
InChIInChI=1S/C13H19BrN2O2S/c1-10-12(14)7-8-13(15-10)16-19(17,18)9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,15,16)
InChIKeySTIDBDSLOVYXHR-UHFFFAOYSA-N
XLogP3.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide
CID 114050645
N-(2-bromo-4-methylphenyl)-1-cyclohexylmethanesulfonamide
CID 61454090
N-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide
CID 106070390
N-(3-amino-4-bromophenyl)-1-cyclohexylmethanesulfonamide
CID 79767508
N-(4-bromo-3-fluorophenyl)-1-cyclohexylmethanesulfonamide
CID 65431066
1-(3-aminophenyl)-N-(5-bromo-6-methyl-2-pyridinyl)methanesulfonamide
CID 79048786
N-(5-bromo-6-methyl-2-pyridinyl)-2-(cyclopentylamino)acetamide
CID 79048110
1-N-(5-bromo-6-methyl-2-pyridinyl)cycloheptane-1,2-diamine
CID 114046704
N-(5-bromo-6-methyl-2-pyridinyl)-4-(2-chloroethyl)benzenesulfonamide
CID 79041281
5-(cyclohexylmethylsulfonylamino)-2-methylbenzoic acid
CID 63653860
2-(cyclohexylmethylsulfonylamino)-3-methylbenzoic acid
CID 61453613
3-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)benzenesulfonamide
CID 106070385

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide (CID 79048598) is N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide is Cc1nc(NS(=O)(=O)CC2CCCCC2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is STIDBDSLOVYXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-10-12(14)7-8-13(15-10)16-19(17,18)9-11-5-3-2-4-6-11/h7-8,11H,2-6,9H2,1H3,(H,15,16).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide?
N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 79048598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).