N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide

C16H20N2O5S2 — CID 651865

IUPACN-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H20N2O5S2/c19-24(20,17-13-14-6-5-11-23-14)15-7-4-8-16(12-15)25(21,22)18-9-2-1-3-10-18/h4-8,11-12,17H,1-3,9-10,13H2
InChIKeyPRQXVDBRQXJWOD-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.93
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide

N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 651865) has the molecular formula C16H20N2O5S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide
PubChem CID651865
Molecular FormulaC16H20N2O5S2
Molecular Weight384.48 g/mol
Exact Mass384.08
IUPAC NameN-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C16H20N2O5S2/c19-24(20,17-13-14-6-5-11-23-14)15-7-4-8-16(12-15)25(21,22)18-9-2-1-3-10-18/h4-8,11-12,17H,1-3,9-10,13H2
InChIKeyPRQXVDBRQXJWOD-UHFFFAOYSA-N
XLogP1.93
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide (CID 651865) is N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is PRQXVDBRQXJWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S2/c19-24(20,17-13-14-6-5-11-23-14)15-7-4-8-16(12-15)25(21,22)18-9-2-1-3-10-18/h4-8,11-12,17H,1-3,9-10,13H2.
What are the key properties of N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide?
N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-piperidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 651865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).