4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide

C17H19ClN2O4S — CID 1328065

IUPAC4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H19ClN2O4S/c18-15-7-6-13(17(21)19-12-14-5-4-10-24-14)11-16(15)25(22,23)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9,12H2,(H,19,21)
InChIKeyNFTRTJKHXGJMRK-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.04
Rot. Bonds5

About 4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide

4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 1328065) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID1328065
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C17H19ClN2O4S/c18-15-7-6-13(17(21)19-12-14-5-4-10-24-14)11-16(15)25(22,23)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9,12H2,(H,19,21)
InChIKeyNFTRTJKHXGJMRK-UHFFFAOYSA-N
XLogP3.04
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide (CID 1328065) is 4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide is O=C(NCc1ccco1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is NFTRTJKHXGJMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c18-15-7-6-13(17(21)19-12-14-5-4-10-24-14)11-16(15)25(22,23)20-8-2-1-3-9-20/h4-7,10-11H,1-3,8-9,12H2,(H,19,21).
What are the key properties of 4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide?
4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 382.87 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1328065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).