3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide

C13H19BrN2O2S — CID 47206357

IUPAC3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2S/c14-12-5-4-6-13(11-12)19(17,18)15-7-10-16-8-2-1-3-9-16/h4-6,11,15H,1-3,7-10H2
InChIKeyDGZKFWYRVGCYBV-UHFFFAOYSA-N
MW347.28 g/mol
LogP2.21
Rot. Bonds5

About 3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide

3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 47206357) has the molecular formula C13H19BrN2O2S and a molecular weight of 347.28 g/mol. Its IUPAC name is 3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID47206357
Molecular FormulaC13H19BrN2O2S
Molecular Weight347.28 g/mol
Exact Mass346.04
IUPAC Name3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCCCC1)c1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O2S/c14-12-5-4-6-13(11-12)19(17,18)15-7-10-16-8-2-1-3-9-16/h4-6,11,15H,1-3,7-10H2
InChIKeyDGZKFWYRVGCYBV-UHFFFAOYSA-N
XLogP2.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599810
3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206339
3-(2-pyrrolidin-1-ylethylsulfamoyl)benzenesulfonyl fluoride
CID 114958196
3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060155
2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61059343
5-bromo-2-methyl-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 60661463
N-[2-(azepan-1-yl)ethyl]-4-(bromomethyl)benzenesulfonamide
CID 65481222
3-bromo-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 54951763
N-(2-aminoethyl)-3-bromobenzenesulfonamide;hydrochloride
CID 119960213
3-bromo-4-chloro-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 106611329
N-[5-(azepan-1-yl)pentyl]benzenesulfonamide
CID 110444590
3-[(3-bromophenyl)sulfonylamino]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 134051901

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide (CID 47206357) is 3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCCCC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is DGZKFWYRVGCYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O2S/c14-12-5-4-6-13(11-12)19(17,18)15-7-10-16-8-2-1-3-9-16/h4-6,11,15H,1-3,7-10H2.
What are the key properties of 3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide?
3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 347.28 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 47206357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).