1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide

C18H23ClN2O2S2 — CID 90522760

IUPAC1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C18H23ClN2O2S2/c19-17-4-1-3-15(13-17)14-25(22,23)20-8-11-21-9-6-16(7-10-21)18-5-2-12-24-18/h1-5,12-13,16,20H,6-11,14H2
InChIKeyHFDASNFSBPYIJF-UHFFFAOYSA-N
MW398.98 g/mol
LogP3.70
Rot. Bonds7

About 1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide

1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide (PubChem CID 90522760) has the molecular formula C18H23ClN2O2S2 and a molecular weight of 398.98 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide
PubChem CID90522760
Molecular FormulaC18H23ClN2O2S2
Molecular Weight398.98 g/mol
Exact Mass398.09
IUPAC Name1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cccc(Cl)c1)NCCN1CCC(c2cccs2)CC1
InChIInChI=1S/C18H23ClN2O2S2/c19-17-4-1-3-15(13-17)14-25(22,23)20-8-11-21-9-6-16(7-10-21)18-5-2-12-24-18/h1-5,12-13,16,20H,6-11,14H2
InChIKeyHFDASNFSBPYIJF-UHFFFAOYSA-N
XLogP3.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.98
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propane-1-sulfonamide
CID 90522711
5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 71787116
1-(3-chlorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888338
3-chloro-2-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 90522756
4-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 90522732
4-fluoro-3-methyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 71787104
1-(3-chlorophenyl)-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]methanesulfonamide
CID 42388921
1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888080
1-(3-chlorophenyl)-N-[4-(oxolan-2-yl)butyl]methanesulfonamide
CID 131913148
5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522639
2-(2,4-dichlorophenoxy)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522681
N'-[(3-methoxyphenyl)methyl]-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
CID 90522839

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide (CID 90522760) is 1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide is O=S(=O)(Cc1cccc(Cl)c1)NCCN1CCC(c2cccs2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide?
The InChIKey is HFDASNFSBPYIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S2/c19-17-4-1-3-15(13-17)14-25(22,23)20-8-11-21-9-6-16(7-10-21)18-5-2-12-24-18/h1-5,12-13,16,20H,6-11,14H2.
What are the key properties of 1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide?
1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide has a molecular weight of 398.98 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 90522760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).