4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride

C17H27ClFN3O3S — CID 120554264

IUPAC4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C17H26FN3O3S.ClH/c1-13-12-19-10-9-16(13)20-17(22)4-3-11-21(2)25(23,24)15-7-5-14(18)6-8-15;/h5-8,13,16,19H,3-4,9-12H2,1-2H3,(H,20,22);1H
InChIKeyULLNZVXUMPWSTH-UHFFFAOYSA-N
MW407.94 g/mol
LogP1.76
Rot. Bonds7

About 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride (PubChem CID 120554264) has the molecular formula C17H27ClFN3O3S and a molecular weight of 407.94 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
PubChem CID120554264
Molecular FormulaC17H27ClFN3O3S
Molecular Weight407.94 g/mol
Exact Mass407.14
IUPAC Name4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride
SMILESCC1CNCCC1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1.Cl
InChIInChI=1S/C17H26FN3O3S.ClH/c1-13-12-19-10-9-16(13)20-17(22)4-3-11-21(2)25(23,24)15-7-5-14(18)6-8-15;/h5-8,13,16,19H,3-4,9-12H2,1-2H3,(H,20,22);1H
InChIKeyULLNZVXUMPWSTH-UHFFFAOYSA-N
XLogP1.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.94
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119534229
4-fluoro-N-[4-[(3-methylpiperidin-4-yl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 120554428
3-(4-fluorophenyl)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553300
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 119455910
N-(4-ethylcyclohexyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 112816434
N-(2-adamantyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 78798978
N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 120556092
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 55517214
2-cyclopropyl-2-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]acetic acid
CID 119213131
N-(1-benzylpyrrolidin-3-yl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 46684557
N-(3-aminopropyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide;hydrochloride
CID 119405561
N-(3-methylpiperidin-4-yl)decanamide
CID 79886452

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
The IUPAC name of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride (CID 120554264) is 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride is CC1CNCCC1NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1.Cl.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
The InChIKey is ULLNZVXUMPWSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3S.ClH/c1-13-12-19-10-9-16(13)20-17(22)4-3-11-21(2)25(23,24)15-7-5-14(18)6-8-15;/h5-8,13,16,19H,3-4,9-12H2,1-2H3,(H,20,22);1H.
What are the key properties of 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride?
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride has a molecular weight of 407.94 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylpiperidin-4-yl)butanamide;hydrochloride is sourced from PubChem (CID 120554264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).