N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide

C16H23ClN2O4S — CID 34349122

IUPACN-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O4S/c1-2-10-24(21,22)18-14-6-8-19(9-7-14)16(20)12-23-15-5-3-4-13(17)11-15/h3-5,11,14,18H,2,6-10,12H2,1H3
InChIKeyMZTRKBAWIXGBRF-UHFFFAOYSA-N
MW374.89 g/mol
LogP2.04
Rot. Bonds7

About N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide

N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide (PubChem CID 34349122) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
PubChem CID34349122
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC NameN-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCN(C(=O)COc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H23ClN2O4S/c1-2-10-24(21,22)18-14-6-8-19(9-7-14)16(20)12-23-15-5-3-4-13(17)11-15/h3-5,11,14,18H,2,6-10,12H2,1H3
InChIKeyMZTRKBAWIXGBRF-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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Related Compounds

N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34355028
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108566444
2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535582
2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid
CID 78979812
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide
CID 108565033
1-(4-chloro-3-methylpiperidin-1-yl)-2-(3-chlorophenoxy)ethanone
CID 114683193
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 38822160
4-chloro-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]benzenesulfonamide
CID 108565138
N-[1-[2-(2-methyl-5-propan-2-ylphenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34348063
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 49348967
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 110822925
2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]acetic acid
CID 43521222

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide (CID 34349122) is N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide is CCCS(=O)(=O)NC1CCN(C(=O)COc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is MZTRKBAWIXGBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-2-10-24(21,22)18-14-6-8-19(9-7-14)16(20)12-23-15-5-3-4-13(17)11-15/h3-5,11,14,18H,2,6-10,12H2,1H3.
What are the key properties of N-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide?
N-[1-[2-(3-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-(3-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 34349122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).