3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide

C15H23BrN2O2S — CID 61060155

IUPAC3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cccc(Br)c1)CN1CCCCC1
InChIInChI=1S/C15H23BrN2O2S/c1-13(12-18-8-3-2-4-9-18)11-17-21(19,20)15-7-5-6-14(16)10-15/h5-7,10,13,17H,2-4,8-9,11-12H2,1H3
InChIKeyVMEJBEGAIMQGGF-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.85
Rot. Bonds6

About 3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide

3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide (PubChem CID 61060155) has the molecular formula C15H23BrN2O2S and a molecular weight of 375.33 g/mol. Its IUPAC name is 3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
PubChem CID61060155
Molecular FormulaC15H23BrN2O2S
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cccc(Br)c1)CN1CCCCC1
InChIInChI=1S/C15H23BrN2O2S/c1-13(12-18-8-3-2-4-9-18)11-17-21(19,20)15-7-5-6-14(16)10-15/h5-7,10,13,17H,2-4,8-9,11-12H2,1H3
InChIKeyVMEJBEGAIMQGGF-UHFFFAOYSA-N
XLogP2.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-bromo-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 115329291
3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206357
4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 51966450
6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
CID 61045800
N-(2-methyl-3-piperidin-1-ylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61020791
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 47062275
5-[(3-bromophenyl)sulfonylamino]-4-methylpentanoic acid
CID 82683808
N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 94605722
3-[(3-bromophenyl)sulfonylamino]-2-methylpropanoic acid
CID 55105551
3-bromo-N-(2-methylsulfinylpropyl)benzenesulfonamide
CID 115763681
2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 62991124
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1H-pyrazole-4-sulfonamide
CID 47372669

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide (CID 61060155) is 3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide is CC(CNS(=O)(=O)c1cccc(Br)c1)CN1CCCCC1.
What is the InChIKey of 3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide?
The InChIKey is VMEJBEGAIMQGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O2S/c1-13(12-18-8-3-2-4-9-18)11-17-21(19,20)15-7-5-6-14(16)10-15/h5-7,10,13,17H,2-4,8-9,11-12H2,1H3.
What are the key properties of 3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide?
3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide has a molecular weight of 375.33 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 61060155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).