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

C14H24ClN3O4S2 — CID 119968808

IUPACN-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CCNS(=O)(=O)c1ccccc1)NCC1CCCNC1
InChIInChI=1S/C14H23N3O4S2.ClH/c18-22(19,17-12-13-5-4-8-15-11-13)10-9-16-23(20,21)14-6-2-1-3-7-14;/h1-3,6-7,13,15-17H,4-5,8-12H2;1H
InChIKeyCNFJZIADAAOQGF-UHFFFAOYSA-N
MW397.95 g/mol
LogP0.31
Rot. Bonds8

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

N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 119968808) has the molecular formula C14H24ClN3O4S2 and a molecular weight of 397.95 g/mol. Its IUPAC name is N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
PubChem CID119968808
Molecular FormulaC14H24ClN3O4S2
Molecular Weight397.95 g/mol
Exact Mass397.09
IUPAC NameN-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CCNS(=O)(=O)c1ccccc1)NCC1CCCNC1
InChIInChI=1S/C14H23N3O4S2.ClH/c18-22(19,17-12-13-5-4-8-15-11-13)10-9-16-23(20,21)14-6-2-1-3-7-14;/h1-3,6-7,13,15-17H,4-5,8-12H2;1H
InChIKeyCNFJZIADAAOQGF-UHFFFAOYSA-N
XLogP0.31
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(piperidin-3-ylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride
CID 119964620
N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
CID 119977448
1-phenyl-N-(piperidin-3-ylmethyl)methanesulfonamide;hydrochloride
CID 119968538
3-bromo-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968615
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
4-methoxy-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968609
3-methyl-N-(piperidin-3-ylmethyl)butane-1-sulfonamide
CID 63855498
3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895184
N-(2-piperidin-3-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119979495
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
N-(piperidin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 61070409
4-bromo-3-fluoro-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968667

Frequently Asked Questions

What is the IUPAC name of N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride (CID 119968808) is N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride is Cl.O=S(=O)(CCNS(=O)(=O)c1ccccc1)NCC1CCCNC1.
What is the InChIKey of N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is CNFJZIADAAOQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S2.ClH/c18-22(19,17-12-13-5-4-8-15-11-13)10-9-16-23(20,21)14-6-2-1-3-7-14;/h1-3,6-7,13,15-17H,4-5,8-12H2;1H.
What are the key properties of N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride?
N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 0.31, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(piperidin-3-ylmethylsulfamoyl)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119968808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).