N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C15H18N2O5S2 — CID 1168293

IUPACN-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H18N2O5S2/c18-23(19,16-12-13-4-3-11-22-13)14-5-7-15(8-6-14)24(20,21)17-9-1-2-10-17/h3-8,11,16H,1-2,9-10,12H2
InChIKeyOSQYMKOYUIIFFA-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.54
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 1168293) has the molecular formula C15H18N2O5S2 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID1168293
Molecular FormulaC15H18N2O5S2
Molecular Weight370.45 g/mol
Exact Mass370.07
IUPAC NameN-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C15H18N2O5S2/c18-23(19,16-12-13-4-3-11-22-13)14-5-7-15(8-6-14)24(20,21)17-9-1-2-10-17/h3-8,11,16H,1-2,9-10,12H2
InChIKeyOSQYMKOYUIIFFA-UHFFFAOYSA-N
XLogP1.54
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.54
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)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 1168293) is N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(NCc1ccco1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is OSQYMKOYUIIFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S2/c18-23(19,16-12-13-4-3-11-22-13)14-5-7-15(8-6-14)24(20,21)17-9-1-2-10-17/h3-8,11,16H,1-2,9-10,12H2.
What are the key properties of N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N-(furan-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 370.45 g/mol, XLogP of 1.54, 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)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 1168293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).