N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride

C13H22ClN3O4S2 — CID 119964620

IUPACN-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CCNS(=O)(=O)c1ccccc1)NC1CCCNC1
InChIInChI=1S/C13H21N3O4S2.ClH/c17-21(18,16-12-5-4-8-14-11-12)10-9-15-22(19,20)13-6-2-1-3-7-13;/h1-3,6-7,12,14-16H,4-5,8-11H2;1H
InChIKeyFGVOGHMROIHPPS-UHFFFAOYSA-N
MW383.92 g/mol
LogP0.06
Rot. Bonds7

About N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride

N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 119964620) has the molecular formula C13H22ClN3O4S2 and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
PubChem CID119964620
Molecular FormulaC13H22ClN3O4S2
Molecular Weight383.92 g/mol
Exact Mass383.07
IUPAC NameN-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CCNS(=O)(=O)c1ccccc1)NC1CCCNC1
InChIInChI=1S/C13H21N3O4S2.ClH/c17-21(18,16-12-5-4-8-14-11-12)10-9-15-22(19,20)13-6-2-1-3-7-13;/h1-3,6-7,12,14-16H,4-5,8-11H2;1H
InChIKeyFGVOGHMROIHPPS-UHFFFAOYSA-N
XLogP0.06
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
CID 119968808
N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
CID 119977448
N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685431
2-phenyl-N-[(3S)-piperidin-3-yl]propane-1-sulfonamide
CID 104982520
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195
N-[(3R)-piperidin-3-yl]but-3-ene-1-sulfonamide;hydrochloride
CID 120723752
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide
CID 119704258
3-ethylsulfonyl-N-piperidin-3-ylbenzenesulfonamide
CID 119964250
N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 120999521

Frequently Asked Questions

What is the IUPAC name of N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride (CID 119964620) is N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride is Cl.O=S(=O)(CCNS(=O)(=O)c1ccccc1)NC1CCCNC1.
What is the InChIKey of N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is FGVOGHMROIHPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S2.ClH/c17-21(18,16-12-5-4-8-14-11-12)10-9-15-22(19,20)13-6-2-1-3-7-13;/h1-3,6-7,12,14-16H,4-5,8-11H2;1H.
What are the key properties of N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride?
N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 0.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119964620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).