3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride

C12H18BrClN2O2S — CID 119968615

IUPAC3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCCNC1)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O2S.ClH/c13-11-4-1-5-12(7-11)18(16,17)15-9-10-3-2-6-14-8-10;/h1,4-5,7,10,14-15H,2-3,6,8-9H2;1H
InChIKeyDQWHILISDVKXQJ-UHFFFAOYSA-N
MW369.71 g/mol
LogP2.15
Rot. Bonds4

About 3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride

3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride (PubChem CID 119968615) has the molecular formula C12H18BrClN2O2S and a molecular weight of 369.71 g/mol. Its IUPAC name is 3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
PubChem CID119968615
Molecular FormulaC12H18BrClN2O2S
Molecular Weight369.71 g/mol
Exact Mass368.00
IUPAC Name3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCC1CCCNC1)c1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O2S.ClH/c13-11-4-1-5-12(7-11)18(16,17)15-9-10-3-2-6-14-8-10;/h1,4-5,7,10,14-15H,2-3,6,8-9H2;1H
InChIKeyDQWHILISDVKXQJ-UHFFFAOYSA-N
XLogP2.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.71
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968667
3-bromo-5-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 120707868
3-bromo-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 62540771
5-bromo-2-chloro-N-[[(3S)-piperidin-3-yl]methyl]benzenesulfonamide
CID 124698506
5-bromo-2-chloro-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968718
N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
CID 119968808
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
3-bromo-N-piperidin-3-ylbenzenesulfonamide
CID 63321214
3-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 63422973
2-bromo-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968293
5-bromo-N-[[(3R)-piperidin-3-yl]methyl]thiophene-2-sulfonamide;hydrochloride
CID 166174114
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride (CID 119968615) is 3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NCC1CCCNC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
The InChIKey is DQWHILISDVKXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S.ClH/c13-11-4-1-5-12(7-11)18(16,17)15-9-10-3-2-6-14-8-10;/h1,4-5,7,10,14-15H,2-3,6,8-9H2;1H.
What are the key properties of 3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride?
3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride has a molecular weight of 369.71 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119968615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).