2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride

C17H27ClFN3O3S — CID 120577893

IUPAC2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
SMILESCC(C)C(NS(=O)(=O)c1ccccc1F)C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C17H26FN3O3S.ClH/c1-11(2)16(17(22)20-14-8-6-10-19-12(14)3)21-25(23,24)15-9-5-4-7-13(15)18;/h4-5,7,9,11-12,14,16,19,21H,6,8,10H2,1-3H3,(H,20,22);1H
InChIKeyWHELIHGJOPHAAN-UHFFFAOYSA-N
MW407.94 g/mol
LogP1.81
Rot. Bonds6

About 2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride

2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride (PubChem CID 120577893) has the molecular formula C17H27ClFN3O3S and a molecular weight of 407.94 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
PubChem CID120577893
Molecular FormulaC17H27ClFN3O3S
Molecular Weight407.94 g/mol
Exact Mass407.14
IUPAC Name2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
SMILESCC(C)C(NS(=O)(=O)c1ccccc1F)C(=O)NC1CCCNC1C.Cl
InChIInChI=1S/C17H26FN3O3S.ClH/c1-11(2)16(17(22)20-14-8-6-10-19-12(14)3)21-25(23,24)15-9-5-4-7-13(15)18;/h4-5,7,9,11-12,14,16,19,21H,6,8,10H2,1-3H3,(H,20,22);1H
InChIKeyWHELIHGJOPHAAN-UHFFFAOYSA-N
XLogP1.81
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.94
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,3R)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120674830
cis-(1R,3S)-3-[[2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120677269
4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120576912
2-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120575422
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide;hydrochloride
CID 119387269
N-(2-methylpiperidin-3-yl)-2-propan-2-ylsulfonylbenzamide
CID 120576563
N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 119589001
2-[(2-fluorophenyl)sulfonylamino]-N-piperidin-4-ylpropanamide
CID 119387270
(2R)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 972328
2-fluoro-N-[(2S)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]benzenesulfonamide
CID 18108508
(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 7063256
N-cyclopropyl-4-[[(2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoyl]amino]benzamide
CID 55941605

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
The IUPAC name of 2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride (CID 120577893) is 2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
The canonical SMILES for 2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride is CC(C)C(NS(=O)(=O)c1ccccc1F)C(=O)NC1CCCNC1C.Cl.
What is the InChIKey of 2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
The InChIKey is WHELIHGJOPHAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O3S.ClH/c1-11(2)16(17(22)20-14-8-6-10-19-12(14)3)21-25(23,24)15-9-5-4-7-13(15)18;/h4-5,7,9,11-12,14,16,19,21H,6,8,10H2,1-3H3,(H,20,22);1H.
What are the key properties of 2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride?
2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride has a molecular weight of 407.94 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfonylamino]-3-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride is sourced from PubChem (CID 120577893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).