N-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

C17H19ClN2O3S2 — CID 22427303

IUPACN-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H19ClN2O3S2/c18-15-5-2-1-4-14(15)12-19-17(21)13-7-9-20(10-8-13)25(22,23)16-6-3-11-24-16/h1-6,11,13H,7-10,12H2,(H,19,21)
InChIKeyJLJGHAPBKRIWMC-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.12
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide

N-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (PubChem CID 22427303) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
PubChem CID22427303
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC NameN-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
SMILESO=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2cccs2)CC1
InChIInChI=1S/C17H19ClN2O3S2/c18-15-5-2-1-4-14(15)12-19-17(21)13-7-9-20(10-8-13)25(22,23)16-6-3-11-24-16/h1-6,11,13H,7-10,12H2,(H,19,21)
InChIKeyJLJGHAPBKRIWMC-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide (CID 22427303) is N-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)c2cccs2)CC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is JLJGHAPBKRIWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c18-15-5-2-1-4-14(15)12-19-17(21)13-7-9-20(10-8-13)25(22,23)16-6-3-11-24-16/h1-6,11,13H,7-10,12H2,(H,19,21).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide?
N-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 398.94 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 22427303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).