N-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide

C14H22N2O2S — CID 65419606

IUPACN-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide
SMILESCC(C)(C)c1ccc(NS(=O)(=O)C2CCNC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)11-4-6-12(7-5-11)16-19(17,18)13-8-9-15-10-13/h4-7,13,15-16H,8-10H2,1-3H3
InChIKeyHCFFKIUVJLADFP-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.09
Rot. Bonds3

About N-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide

N-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide (PubChem CID 65419606) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide
PubChem CID65419606
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide
SMILESCC(C)(C)c1ccc(NS(=O)(=O)C2CCNC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-14(2,3)11-4-6-12(7-5-11)16-19(17,18)13-8-9-15-10-13/h4-7,13,15-16H,8-10H2,1-3H3
InChIKeyHCFFKIUVJLADFP-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide (CID 65419606) is N-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide is CC(C)(C)c1ccc(NS(=O)(=O)C2CCNC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide?
The InChIKey is HCFFKIUVJLADFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-14(2,3)11-4-6-12(7-5-11)16-19(17,18)13-8-9-15-10-13/h4-7,13,15-16H,8-10H2,1-3H3.
What are the key properties of N-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide?
N-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65419606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).