N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide

C14H21BrN2O2S — CID 107575648

IUPACN-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CC2CCCCN2)cc(C)c1Br
InChIInChI=1S/C14H21BrN2O2S/c1-10-7-13(8-11(2)14(10)15)17-20(18,19)9-12-5-3-4-6-16-12/h7-8,12,16-17H,3-6,9H2,1-2H3
InChIKeyUQYUUDGLQKADNM-UHFFFAOYSA-N
MW361.31 g/mol
LogP2.95
Rot. Bonds4

About N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide

N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide (PubChem CID 107575648) has the molecular formula C14H21BrN2O2S and a molecular weight of 361.31 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
PubChem CID107575648
Molecular FormulaC14H21BrN2O2S
Molecular Weight361.31 g/mol
Exact Mass360.05
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CC2CCCCN2)cc(C)c1Br
InChIInChI=1S/C14H21BrN2O2S/c1-10-7-13(8-11(2)14(10)15)17-20(18,19)9-12-5-3-4-6-16-12/h7-8,12,16-17H,3-6,9H2,1-2H3
InChIKeyUQYUUDGLQKADNM-UHFFFAOYSA-N
XLogP2.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)-4-methylphenyl]-1-piperidin-2-ylmethanesulfonamide
CID 115378310
N-phenyl-1-piperidin-2-ylmethanesulfonamide
CID 54974221
N-(3-methyl-1,2-oxazol-5-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973614
N-(1,3-benzothiazol-6-yl)-1-piperidin-2-ylmethanesulfonamide
CID 107806362
N-(6-methyl-2-pyridinyl)-1-piperidin-2-ylmethanesulfonamide
CID 54973719
N-(5-bromo-1,3-thiazol-2-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54974227
N-(1-benzothiophen-5-yl)-1-piperidin-2-ylmethanesulfonamide
CID 65450515
N-(2-hydroxyphenyl)-1-piperidin-2-ylmethanesulfonamide
CID 115071292
N-(2-chloro-4-iodophenyl)-1-piperidin-2-ylmethanesulfonamide
CID 107605719
1-(azetidin-2-yl)-N-(4-methylphenyl)methanesulfonamide
CID 115071249
N-(2,5-dimethylpyrazol-3-yl)-1-pyrrolidin-2-ylmethanesulfonamide
CID 54973643
N-(2,5-difluoro-4-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 103586278

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide (CID 107575648) is N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide is Cc1cc(NS(=O)(=O)CC2CCCCN2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide?
The InChIKey is UQYUUDGLQKADNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2S/c1-10-7-13(8-11(2)14(10)15)17-20(18,19)9-12-5-3-4-6-16-12/h7-8,12,16-17H,3-6,9H2,1-2H3.
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide?
N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide has a molecular weight of 361.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-1-piperidin-2-ylmethanesulfonamide is sourced from PubChem (CID 107575648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).