N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

C17H27Cl2N3O3S — CID 119704315

IUPACN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C17H26ClN3O3S.ClH/c1-13(14-5-7-19-8-6-14)11-17(22)20-9-10-21-25(23,24)16-4-2-3-15(18)12-16;/h2-4,12-14,19,21H,5-11H2,1H3,(H,20,22);1H
InChIKeyKNKBMUGWFBNVAZ-UHFFFAOYSA-N
MW424.39 g/mol
LogP2.18
Rot. Bonds8

About N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119704315) has the molecular formula C17H27Cl2N3O3S and a molecular weight of 424.39 g/mol. Its IUPAC name is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119704315
Molecular FormulaC17H27Cl2N3O3S
Molecular Weight424.39 g/mol
Exact Mass423.12
IUPAC NameN-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C17H26ClN3O3S.ClH/c1-13(14-5-7-19-8-6-14)11-17(22)20-9-10-21-25(23,24)16-4-2-3-15(18)12-16;/h2-4,12-14,19,21H,5-11H2,1H3,(H,20,22);1H
InChIKeyKNKBMUGWFBNVAZ-UHFFFAOYSA-N
XLogP2.18
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]piperidine-4-carboxamide
CID 119279132
N-[2-(benzenesulfonamido)ethyl]-3-piperidin-3-ylbutanamide
CID 119704258
4-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119703424
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037
N-[2-[(3-nitrophenyl)sulfonylamino]ethyl]-3-piperidin-3-ylbutanamide
CID 119755122
N-[3-(2,4-dichlorophenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119813601
(2S)-2-amino-N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]propanamide
CID 119279126
2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119703578
N-[2-(2,3-dichlorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119736274
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119704291
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691370
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119704315) is N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is KNKBMUGWFBNVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O3S.ClH/c1-13(14-5-7-19-8-6-14)11-17(22)20-9-10-21-25(23,24)16-4-2-3-15(18)12-16;/h2-4,12-14,19,21H,5-11H2,1H3,(H,20,22);1H.
What are the key properties of N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 424.39 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119704315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).