N-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide

C13H20N2O2S — CID 65421563

IUPACN-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)C2CCNC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(2)11-3-5-12(6-4-11)15-18(16,17)13-7-8-14-9-13/h3-6,10,13-15H,7-9H2,1-2H3
InChIKeyKBAOCYWTKKKUHF-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.91
Rot. Bonds4

About N-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide

N-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide (PubChem CID 65421563) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide
PubChem CID65421563
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)C2CCNC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-10(2)11-3-5-12(6-4-11)15-18(16,17)13-7-8-14-9-13/h3-6,10,13-15H,7-9H2,1-2H3
InChIKeyKBAOCYWTKKKUHF-UHFFFAOYSA-N
XLogP1.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide (CID 65421563) is N-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide is CC(C)c1ccc(NS(=O)(=O)C2CCNC2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide?
The InChIKey is KBAOCYWTKKKUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-10(2)11-3-5-12(6-4-11)15-18(16,17)13-7-8-14-9-13/h3-6,10,13-15H,7-9H2,1-2H3.
What are the key properties of N-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide?
N-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65421563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).