N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide

C12H17BrN2O2S — CID 43806682

IUPACN-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H17BrN2O2S/c1-10-5-6-11(13)9-12(10)14-18(16,17)15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyZVBBUHJUSNKLQH-UHFFFAOYSA-N
MW333.25 g/mol
LogP2.90
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide

N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide (PubChem CID 43806682) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
PubChem CID43806682
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC NameN-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide
SMILESCc1ccc(Br)cc1NS(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H17BrN2O2S/c1-10-5-6-11(13)9-12(10)14-18(16,17)15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8H2,1H3
InChIKeyZVBBUHJUSNKLQH-UHFFFAOYSA-N
XLogP2.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-5-sulfamoylphenyl)piperidine-1-sulfonamide
CID 61132651
N-(5-bromo-4-fluoro-2-methylphenyl)piperidine-1-sulfonamide
CID 107592686
N-(4-amino-2,5-dimethylphenyl)azepane-1-sulfonamide
CID 103144757
3-(azepan-1-ylsulfonylamino)-4-methylbenzenecarbothioamide
CID 62105771
N-(3-amino-2,4-dimethylphenyl)piperidine-1-sulfonamide
CID 54880821
1-(5-bromo-2-methylphenyl)sulfonylazepane
CID 876435
4-bromo-1-methyl-2-(sulfamoylamino)benzene
CID 112573557
N-(4-bromo-2-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43102128
N-(5-bromo-2-methylphenyl)cyclopentanesulfonamide
CID 115606541
N-(2-bromo-5-methoxyphenyl)azepane-1-sulfonamide
CID 63997402
N-(5-bromo-2-pyridinyl)piperidine-1-sulfonamide
CID 3320967
N-(2-bromo-4-fluorophenyl)pyrrolidine-1-sulfonamide
CID 28939191

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide (CID 43806682) is N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide is Cc1ccc(Br)cc1NS(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide?
The InChIKey is ZVBBUHJUSNKLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-10-5-6-11(13)9-12(10)14-18(16,17)15-7-3-2-4-8-15/h5-6,9,14H,2-4,7-8H2,1H3.
What are the key properties of N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide?
N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide has a molecular weight of 333.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)piperidine-1-sulfonamide is sourced from PubChem (CID 43806682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).