N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide

C18H27ClN2O4S — CID 108565183

IUPACN-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)C(C)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O4S/c1-3-4-13-26(23,24)20-16-9-11-21(12-10-16)18(22)14(2)25-17-7-5-15(19)6-8-17/h5-8,14,16,20H,3-4,9-13H2,1-2H3
InChIKeyRLCOSXJVLNQWSH-UHFFFAOYSA-N
MW402.94 g/mol
LogP2.82
Rot. Bonds8

About N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide

N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide (PubChem CID 108565183) has the molecular formula C18H27ClN2O4S and a molecular weight of 402.94 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide
PubChem CID108565183
Molecular FormulaC18H27ClN2O4S
Molecular Weight402.94 g/mol
Exact Mass402.14
IUPAC NameN-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCN(C(=O)C(C)Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H27ClN2O4S/c1-3-4-13-26(23,24)20-16-9-11-21(12-10-16)18(22)14(2)25-17-7-5-15(19)6-8-17/h5-8,14,16,20H,3-4,9-13H2,1-2H3
InChIKeyRLCOSXJVLNQWSH-UHFFFAOYSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.94
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-4-yl]propane-1-sulfonamide
CID 55655152
1-(4-butylsulfonylpiperazin-1-yl)-2-(4-chlorophenoxy)propan-1-one
CID 108568862
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-oxopentanamide
CID 108558057
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-propan-2-ylbenzamide
CID 108565214
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-4-fluorobenzamide
CID 108549415
N-[1-[2-(4-propan-2-ylphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 108565261
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558175
2-(4-chlorophenoxy)-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one
CID 53150906
N-[1-[2-(4-methoxyphenoxy)propanoyl]piperidin-4-yl]benzenesulfonamide
CID 55504753
N-[2-[4-(butylsulfonylamino)piperidin-1-yl]-2-oxoethyl]benzamide
CID 108564016
N-[1-[2-(4-tert-butylphenoxy)propanoyl]piperidin-3-yl]ethanesulfonamide
CID 47082365
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butane-1-sulfonamide
CID 110821222

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide?
The IUPAC name of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide (CID 108565183) is N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide?
The canonical SMILES for N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide is CCCCS(=O)(=O)NC1CCN(C(=O)C(C)Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide?
The InChIKey is RLCOSXJVLNQWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O4S/c1-3-4-13-26(23,24)20-16-9-11-21(12-10-16)18(22)14(2)25-17-7-5-15(19)6-8-17/h5-8,14,16,20H,3-4,9-13H2,1-2H3.
What are the key properties of N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide?
N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide has a molecular weight of 402.94 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenoxy)propanoyl]piperidin-4-yl]butane-1-sulfonamide is sourced from PubChem (CID 108565183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).