4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

C15H25ClN2O5S2 — CID 119960520

IUPAC4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC2CCNCC2)cc1.Cl
InChIInChI=1S/C15H24N2O5S2.ClH/c1-2-23(18,19)12-11-22-14-3-5-15(6-4-14)24(20,21)17-13-7-9-16-10-8-13;/h3-6,13,16-17H,2,7-12H2,1H3;1H
InChIKeyUYVXJPOIIAKZDF-UHFFFAOYSA-N
MW412.96 g/mol
LogP0.95
Rot. Bonds8

About 4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (PubChem CID 119960520) has the molecular formula C15H25ClN2O5S2 and a molecular weight of 412.96 g/mol. Its IUPAC name is 4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
PubChem CID119960520
Molecular FormulaC15H25ClN2O5S2
Molecular Weight412.96 g/mol
Exact Mass412.09
IUPAC Name4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC2CCNCC2)cc1.Cl
InChIInChI=1S/C15H24N2O5S2.ClH/c1-2-23(18,19)12-11-22-14-3-5-15(6-4-14)24(20,21)17-13-7-9-16-10-8-13;/h3-6,13,16-17H,2,7-12H2,1H3;1H
InChIKeyUYVXJPOIIAKZDF-UHFFFAOYSA-N
XLogP0.95
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.96
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide
CID 119960714
2-(4-methylphenoxy)-N-piperidin-4-ylethanesulfonamide;hydrochloride
CID 154911253
2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
CID 61403339
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
4-pentoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964352
N-piperidin-4-yl-4-propylbenzenesulfonamide
CID 43603347
4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
CID 43603241
4-(2-methoxyethoxy)-N-piperidin-3-ylbenzenesulfonamide
CID 63321022
4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120874458
N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120706275
4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
N-(2-amino-2-methylpropyl)-4-(2-ethylsulfonylethoxy)benzenesulfonamide;hydrochloride
CID 119988125

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (CID 119960520) is 4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NC2CCNCC2)cc1.Cl.
What is the InChIKey of 4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The InChIKey is UYVXJPOIIAKZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5S2.ClH/c1-2-23(18,19)12-11-22-14-3-5-15(6-4-14)24(20,21)17-13-7-9-16-10-8-13;/h3-6,13,16-17H,2,7-12H2,1H3;1H.
What are the key properties of 4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride has a molecular weight of 412.96 g/mol, XLogP of 0.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119960520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).