2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

C17H19ClN2O3S2 — CID 1087751

IUPAC2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C17H19ClN2O3S2/c18-16-7-6-14(25(22,23)20-8-2-1-3-9-20)11-15(16)17(21)19-12-13-5-4-10-24-13/h4-7,10-11H,1-3,8-9,12H2,(H,19,21)
InChIKeyMOTRBJGXZJOJNE-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.51
Rot. Bonds5

About 2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide

2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 1087751) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
PubChem CID1087751
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC Name2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C17H19ClN2O3S2/c18-16-7-6-14(25(22,23)20-8-2-1-3-9-20)11-15(16)17(21)19-12-13-5-4-10-24-13/h4-7,10-11H,1-3,8-9,12H2,(H,19,21)
InChIKeyMOTRBJGXZJOJNE-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide (CID 1087751) is 2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is MOTRBJGXZJOJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c18-16-7-6-14(25(22,23)20-8-2-1-3-9-20)11-15(16)17(21)19-12-13-5-4-10-24-13/h4-7,10-11H,1-3,8-9,12H2,(H,19,21).
What are the key properties of 2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide?
2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 398.94 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-piperidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 1087751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).