N-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide

C13H18N2O4S2 — CID 647250

IUPACN-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H18N2O4S2/c16-20(17,14-11-6-7-11)12-4-3-5-13(10-12)21(18,19)15-8-1-2-9-15/h3-5,10-11,14H,1-2,6-9H2
InChIKeyNYAAHEWLKWPSEI-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.91
Rot. Bonds5

About N-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide

N-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide (PubChem CID 647250) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
PubChem CID647250
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC NameN-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(NC1CC1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C13H18N2O4S2/c16-20(17,14-11-6-7-11)12-4-3-5-13(10-12)21(18,19)15-8-1-2-9-15/h3-5,10-11,14H,1-2,6-9H2
InChIKeyNYAAHEWLKWPSEI-UHFFFAOYSA-N
XLogP0.91
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide (CID 647250) is N-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide is O=S(=O)(NC1CC1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
The InChIKey is NYAAHEWLKWPSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c16-20(17,14-11-6-7-11)12-4-3-5-13(10-12)21(18,19)15-8-1-2-9-15/h3-5,10-11,14H,1-2,6-9H2.
What are the key properties of N-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide?
N-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide has a molecular weight of 330.43 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-pyrrolidin-1-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 647250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).