N-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide

C15H21ClN2O3S — CID 70760741

IUPACN-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3S/c1-12(19)17-9-8-14-6-2-3-10-18(14)22(20,21)15-7-4-5-13(16)11-15/h4-5,7,11,14H,2-3,6,8-10H2,1H3,(H,17,19)
InChIKeyAWJWHVNXGZFNJD-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.41
Rot. Bonds5

About N-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide

N-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide (PubChem CID 70760741) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
PubChem CID70760741
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3S/c1-12(19)17-9-8-14-6-2-3-10-18(14)22(20,21)15-7-4-5-13(16)11-15/h4-5,7,11,14H,2-3,6,8-10H2,1H3,(H,17,19)
InChIKeyAWJWHVNXGZFNJD-UHFFFAOYSA-N
XLogP2.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide (CID 70760741) is N-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide is CC(=O)NCCC1CCCCN1S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
The InChIKey is AWJWHVNXGZFNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-12(19)17-9-8-14-6-2-3-10-18(14)22(20,21)15-7-4-5-13(16)11-15/h4-5,7,11,14H,2-3,6,8-10H2,1H3,(H,17,19).
What are the key properties of N-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide?
N-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide has a molecular weight of 344.86 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-chlorophenyl)sulfonylpiperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 70760741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).