2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride

C15H23Cl2N3O3S — CID 120602559

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CC(NC(=O)C(C)NS(=O)(=O)c2ccc(Cl)cc2)CCN1.Cl
InChIInChI=1S/C15H22ClN3O3S.ClH/c1-10-9-13(7-8-17-10)18-15(20)11(2)19-23(21,22)14-5-3-12(16)4-6-14;/h3-6,10-11,13,17,19H,7-9H2,1-2H3,(H,18,20);1H
InChIKeyBBZPVDMSDJZJJZ-UHFFFAOYSA-N
MW396.34 g/mol
LogP1.69
Rot. Bonds5

About 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride

2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride (PubChem CID 120602559) has the molecular formula C15H23Cl2N3O3S and a molecular weight of 396.34 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
PubChem CID120602559
Molecular FormulaC15H23Cl2N3O3S
Molecular Weight396.34 g/mol
Exact Mass395.08
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
SMILESCC1CC(NC(=O)C(C)NS(=O)(=O)c2ccc(Cl)cc2)CCN1.Cl
InChIInChI=1S/C15H22ClN3O3S.ClH/c1-10-9-13(7-8-17-10)18-15(20)11(2)19-23(21,22)14-5-3-12(16)4-6-14;/h3-6,10-11,13,17,19H,7-9H2,1-2H3,(H,18,20);1H
InChIKeyBBZPVDMSDJZJJZ-UHFFFAOYSA-N
XLogP1.69
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 51122843
N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 154872445
N-(2-methylpiperidin-4-yl)-2-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide;hydrochloride
CID 120601956
N-(2-methylpiperidin-4-yl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
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N-(2-methylpiperidin-4-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 120601336
N-(2-methylpiperidin-4-yl)-4-(methylsulfamoyl)benzamide
CID 120599207
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-methylpiperidin-4-yl)acetamide
CID 120600077
N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 42696611
2-[(4-bromophenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 5025044
4-chloro-N-[1-(2-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride
CID 119471892
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]propanamide
CID 55939921
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide;hydrochloride
CID 119574204

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride (CID 120602559) is 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride is CC1CC(NC(=O)C(C)NS(=O)(=O)c2ccc(Cl)cc2)CCN1.Cl.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
The InChIKey is BBZPVDMSDJZJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S.ClH/c1-10-9-13(7-8-17-10)18-15(20)11(2)19-23(21,22)14-5-3-12(16)4-6-14;/h3-6,10-11,13,17,19H,7-9H2,1-2H3,(H,18,20);1H.
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride?
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride has a molecular weight of 396.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 120602559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).