2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide

C16H16Cl2N2O3S2 — CID 108561586

IUPAC2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(S(=O)(=O)c2cccs2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2N2O3S2/c17-11-3-4-14(18)13(10-11)16(21)19-12-5-7-20(8-6-12)25(22,23)15-2-1-9-24-15/h1-4,9-10,12H,5-8H2,(H,19,21)
InChIKeyUVAQBBZZGRHNIB-UHFFFAOYSA-N
MW419.36 g/mol
LogP3.64
Rot. Bonds4

About 2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide

2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide (PubChem CID 108561586) has the molecular formula C16H16Cl2N2O3S2 and a molecular weight of 419.36 g/mol. Its IUPAC name is 2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
PubChem CID108561586
Molecular FormulaC16H16Cl2N2O3S2
Molecular Weight419.36 g/mol
Exact Mass418.00
IUPAC Name2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
SMILESO=C(NC1CCN(S(=O)(=O)c2cccs2)CC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H16Cl2N2O3S2/c17-11-3-4-14(18)13(10-11)16(21)19-12-5-7-20(8-6-12)25(22,23)15-2-1-9-24-15/h1-4,9-10,12H,5-8H2,(H,19,21)
InChIKeyUVAQBBZZGRHNIB-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(benzenesulfonyl)piperidin-4-yl]-2,5-dichlorobenzamide
CID 108561561
2,5-dichloro-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 108561587
2-(2,4-dichlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108561076
3-hydroxy-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 108562969
4-fluoro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide
CID 35400940
2-(4-chlorophenoxy)-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)propanamide
CID 108560976
2,5-dichloro-N-[4-[(2,5-dichlorobenzoyl)amino]cyclohexyl]benzamide
CID 2165949
2-phenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108560111
2,2-diphenyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)acetamide
CID 108559458
1-tert-butyl-3-(1-thiophen-2-ylsulfonylpiperidin-4-yl)urea
CID 110823258
2-ethyl-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)butanamide
CID 110823252
(5-chloro-2-fluorophenyl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 9086144

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide (CID 108561586) is 2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide is O=C(NC1CCN(S(=O)(=O)c2cccs2)CC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is UVAQBBZZGRHNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3S2/c17-11-3-4-14(18)13(10-11)16(21)19-12-5-7-20(8-6-12)25(22,23)15-2-1-9-24-15/h1-4,9-10,12H,5-8H2,(H,19,21).
What are the key properties of 2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide?
2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 419.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(1-thiophen-2-ylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 108561586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).