N-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide

C13H19BrN2O2S — CID 114050645

IUPACN-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H19BrN2O2S/c1-10-12(7-8-13(14)15-10)16-19(17,18)9-11-5-3-2-4-6-11/h7-8,11,16H,2-6,9H2,1H3
InChIKeyWWJFXFUFBNYYQJ-UHFFFAOYSA-N
MW347.28 g/mol
LogP3.47
Rot. Bonds4

About N-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide

N-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide (PubChem CID 114050645) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide
PubChem CID114050645
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide
SMILESCc1nc(Br)ccc1NS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C13H19BrN2O2S/c1-10-12(7-8-13(14)15-10)16-19(17,18)9-11-5-3-2-4-6-11/h7-8,11,16H,2-6,9H2,1H3
InChIKeyWWJFXFUFBNYYQJ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

US10246456, Example 439
CID 118663578
US10246456, Example 419
CID 118663587
2-[(2R)-2-amino-2-(6-bromo-3-fluoro-2-pyridinyl)propyl]sulfonyl-2-methylpropanenitrile
CID 86715739
(5R)-5-(6-bromo-3-fluoro-2-pyridinyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 88594129
2-[2-Amino-2-(6-bromo-3-fluoro-2-pyridinyl)propyl]sulfonyl-2-methylpropanenitrile
CID 117869309
3-(6-bromo-3-fluoro-2-pyridinyl)-6-butyl-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine
CID 123234383
(R)-N-[(2R,3S)-2-(6-bromo-3-fluoro-2-pyridinyl)-3-fluoropent-4-en-2-yl]-2-methylpropane-2-sulfinamide
CID 126682302
(2R)-2-(6-bromo-3-fluoro-2-pyridinyl)-1-(1-oxo-1lambda6-thia-2,7-diazacyclohept-7-en-1-yl)propan-2-amine
CID 135205737
(4R,5R)-4-(6-bromo-2-pyridinyl)-5-fluoro-2-methylheptane-2-sulfinamide
CID 140798254
(4S)-4-(6-bromo-2-pyridinyl)-5-fluoro-2-methylhexane-2-sulfinamide
CID 140798424
(4R,5S)-4-(6-bromo-2-pyridinyl)-5-fluoro-2-methylheptane-2-sulfinamide
CID 140798433
(4R)-4-(6-bromo-2-pyridinyl)-5-fluoro-2-methylhexane-2-sulfinamide
CID 140798485

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide (CID 114050645) is N-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide is Cc1nc(Br)ccc1NS(=O)(=O)CC1CCCCC1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide?
The InChIKey is WWJFXFUFBNYYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-10-12(7-8-13(14)15-10)16-19(17,18)9-11-5-3-2-4-6-11/h7-8,11,16H,2-6,9H2,1H3.
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide?
N-(6-bromo-2-methyl-3-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-(6-bromo-2-methyl-3-pyridinyl)-1-cyclohexylmethanesulfonamide is sourced from PubChem (CID 114050645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).