N,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride

C19H26ClF3N2O2S — CID 69420296

IUPACN,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)N(C)[C@@H]2C=C[C@H](N3CCC(C(F)(F)F)CC3)C2)c1.Cl
InChIInChI=1S/C19H25F3N2O2S.ClH/c1-14-4-3-5-18(12-14)27(25,26)23(2)16-6-7-17(13-16)24-10-8-15(9-11-24)19(20,21)22;/h3-7,12,15-17H,8-11,13H2,1-2H3;1H/t16-,17+;/m1./s1
InChIKeyWKWDQJOSCZHYAH-PPPUBMIESA-N
MW438.94 g/mol
LogP4.01
Rot. Bonds4

About N,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride

N,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride (PubChem CID 69420296) has the molecular formula C19H26ClF3N2O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is N,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride
PubChem CID69420296
Molecular FormulaC19H26ClF3N2O2S
Molecular Weight438.94 g/mol
Exact Mass438.14
IUPAC NameN,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride
SMILESCc1cccc(S(=O)(=O)N(C)[C@@H]2C=C[C@H](N3CCC(C(F)(F)F)CC3)C2)c1.Cl
InChIInChI=1S/C19H25F3N2O2S.ClH/c1-14-4-3-5-18(12-14)27(25,26)23(2)16-6-7-17(13-16)24-10-8-15(9-11-24)19(20,21)22;/h3-7,12,15-17H,8-11,13H2,1-2H3;1H/t16-,17+;/m1./s1
InChIKeyWKWDQJOSCZHYAH-PPPUBMIESA-N
XLogP4.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-N-[(1S)-4-(4-methylpiperidin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide
CID 70035700
N,3-dimethyl-N-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-yl]benzenesulfonamide
CID 69421229
N-[(1S,4R)-4-[(3S)-3-cyclohexylpiperidin-1-yl]cyclopent-2-en-1-yl]-N,3-dimethylbenzenesulfonamide
CID 69421248
N-[3-(4-tert-butylpiperidin-1-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide
CID 69419874
1-[(3R,4S)-3-methyl-4-(3-methylphenyl)sulfonylpentyl]-4-(trifluoromethyl)piperidine
CID 58697065
[(1R,4S)-4-[methyl-(3-methylphenyl)sulfonylamino]cyclopent-2-en-1-yl] acetate
CID 69421052
N,3-dimethyl-N-(2-piperidin-4-ylethyl)benzenesulfonamide
CID 60914377
1-(3-methylphenyl)sulfonyl-2-[3-[4-(trifluoromethyl)piperidin-1-yl]propyl]piperidine
CID 123679283
N,N-dimethyl-4-(3-methylphenyl)sulfonyl-1,4-diazepane-1-sulfonamide
CID 110799696
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)cyclopentyl]-N,3-dimethylbenzenesulfonamide
CID 69419689
1-(cyclopropylmethyl)-4-(3-methylphenyl)sulfonylpiperazine
CID 110708713
1-cycloheptyl-4-(3-methylphenyl)sulfonylpiperazine
CID 113074976

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of N,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride (CID 69420296) is N,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for N,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for N,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride is Cc1cccc(S(=O)(=O)N(C)[C@@H]2C=C[C@H](N3CCC(C(F)(F)F)CC3)C2)c1.Cl.
What is the InChIKey of N,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride?
The InChIKey is WKWDQJOSCZHYAH-PPPUBMIESA-N. The full InChI is InChI=1S/C19H25F3N2O2S.ClH/c1-14-4-3-5-18(12-14)27(25,26)23(2)16-6-7-17(13-16)24-10-8-15(9-11-24)19(20,21)22;/h3-7,12,15-17H,8-11,13H2,1-2H3;1H/t16-,17+;/m1./s1.
What are the key properties of N,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride?
N,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride has a molecular weight of 438.94 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(1S,4R)-4-[4-(trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 69420296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).