4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C10H14N2O4S2 — CID 788064

IUPAC4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C10H14N2O4S2/c11-17(13,14)9-3-5-10(6-4-9)18(15,16)12-7-1-2-8-12/h3-6H,1-2,7-8H2,(H2,11,13,14)
InChIKeyFGKIRHLTSQAYPP-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.12
Rot. Bonds3

About 4-pyrrolidin-1-ylsulfonylbenzenesulfonamide

4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 788064) has the molecular formula C10H14N2O4S2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID788064
Molecular FormulaC10H14N2O4S2
Molecular Weight290.37 g/mol
Exact Mass290.04
IUPAC Name4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C10H14N2O4S2/c11-17(13,14)9-3-5-10(6-4-9)18(15,16)12-7-1-2-8-12/h3-6H,1-2,7-8H2,(H2,11,13,14)
InChIKeyFGKIRHLTSQAYPP-UHFFFAOYSA-N
XLogP0.12
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of 4-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 788064) is 4-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is FGKIRHLTSQAYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4S2/c11-17(13,14)9-3-5-10(6-4-9)18(15,16)12-7-1-2-8-12/h3-6H,1-2,7-8H2,(H2,11,13,14).
What are the key properties of 4-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
4-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 290.37 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 788064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).