N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide

C13H19BrN2O2S — CID 107584272

IUPACN-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)CC2CCCNC2)c1
InChIInChI=1S/C13H19BrN2O2S/c1-10-5-12(14)7-13(6-10)16-19(17,18)9-11-3-2-4-15-8-11/h5-7,11,15-16H,2-4,8-9H2,1H3
InChIKeyJKDZKZVMRDQRAU-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.50
Rot. Bonds4

About N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide

N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide (PubChem CID 107584272) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
PubChem CID107584272
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC NameN-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
SMILESCc1cc(Br)cc(NS(=O)(=O)CC2CCCNC2)c1
InChIInChI=1S/C13H19BrN2O2S/c1-10-5-12(14)7-13(6-10)16-19(17,18)9-11-3-2-4-15-8-11/h5-7,11,15-16H,2-4,8-9H2,1H3
InChIKeyJKDZKZVMRDQRAU-UHFFFAOYSA-N
XLogP2.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 79050302
N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide
CID 107613659
3-bromo-5-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 120707868
1-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide
CID 62902333
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide
CID 54972682
N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 116787354
N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 114111424
3-bromo-N-(cyclopentylsulfamoyl)-5-methylaniline
CID 110614187
N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972113
1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide
CID 114912971
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
2-amino-N-(3-bromo-5-methylphenyl)ethanesulfonamide
CID 107582977

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide (CID 107584272) is N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide is Cc1cc(Br)cc(NS(=O)(=O)CC2CCCNC2)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is JKDZKZVMRDQRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c1-10-5-12(14)7-13(6-10)16-19(17,18)9-11-3-2-4-15-8-11/h5-7,11,15-16H,2-4,8-9H2,1H3.
What are the key properties of N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide?
N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 107584272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).