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N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide

C16H23ClN2O4S — CID 34355028

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O4S/c1-2-11-24(21,22)18-13-7-9-19(10-8-13)16(20)12-23-15-6-4-3-5-14(15)17/h3-6,13,18H,2,7-12H2,1H3
InChIKeyYDEFLQFCNRCWJK-UHFFFAOYSA-N
MW374.89 g/mol
LogP2.04
Rot. Bonds7

About N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide

N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 34355028) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID34355028
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC NameN-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)COc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O4S/c1-2-11-24(21,22)18-13-7-9-19(10-8-13)16(20)12-23-15-6-4-3-5-14(15)17/h3-6,13,18H,2,7-12H2,1H3
InChIKeyYDEFLQFCNRCWJK-UHFFFAOYSA-N
XLogP2.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide (CID 34355028) is N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)COc2ccccc2Cl)CC1.
What is the InChIKey of N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is YDEFLQFCNRCWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-2-11-24(21,22)18-13-7-9-19(10-8-13)16(20)12-23-15-6-4-3-5-14(15)17/h3-6,13,18H,2,7-12H2,1H3.
What are the key properties of N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 374.89 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 34355028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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