N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride

C13H18ClF3N2O2S — CID 120706275

IUPACN-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNCC1)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2S.ClH/c14-13(15,16)9-10-1-3-12(4-2-10)21(19,20)18-11-5-7-17-8-6-11;/h1-4,11,17-18H,5-9H2;1H
InChIKeyAGWDWGXJDNXRON-UHFFFAOYSA-N
MW358.81 g/mol
LogP2.24
Rot. Bonds4

About N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride

N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride (PubChem CID 120706275) has the molecular formula C13H18ClF3N2O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
PubChem CID120706275
Molecular FormulaC13H18ClF3N2O2S
Molecular Weight358.81 g/mol
Exact Mass358.07
IUPAC NameN-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNCC1)c1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O2S.ClH/c14-13(15,16)9-10-1-3-12(4-2-10)21(19,20)18-11-5-7-17-8-6-11;/h1-4,11,17-18H,5-9H2;1H
InChIKeyAGWDWGXJDNXRON-UHFFFAOYSA-N
XLogP2.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120874458
N-piperidin-4-yl-4-propylbenzenesulfonamide
CID 43603347
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
N-[(3S)-pyrrolidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 79684944
4-cyclohexyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960370
4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
CID 43603241
4-(2-ethylsulfonylethoxy)-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960520
N-[[4-[[(3R)-pyrrolidin-3-yl]sulfamoyl]phenyl]methyl]acetamide
CID 79685894
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide
CID 120998884
2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
CID 61403339
N-pyrrolidin-3-yl-6-(trifluoromethyl)pyridine-3-sulfonamide;hydrochloride
CID 120707588

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride (CID 120706275) is N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNCC1)c1ccc(CC(F)(F)F)cc1.
What is the InChIKey of N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
The InChIKey is AGWDWGXJDNXRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S.ClH/c14-13(15,16)9-10-1-3-12(4-2-10)21(19,20)18-11-5-7-17-8-6-11;/h1-4,11,17-18H,5-9H2;1H.
What are the key properties of N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride has a molecular weight of 358.81 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120706275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).