N-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C15H21FN2O3S — CID 2947822

IUPACN-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c1-15(2,3)17-14(19)13-5-4-10-18(13)22(20,21)12-8-6-11(16)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyPNHBHCKSIAEGFE-UHFFFAOYSA-N
MW328.41 g/mol
LogP1.89
Rot. Bonds3

About N-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

N-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 2947822) has the molecular formula C15H21FN2O3S and a molecular weight of 328.41 g/mol. Its IUPAC name is N-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID2947822
Molecular FormulaC15H21FN2O3S
Molecular Weight328.41 g/mol
Exact Mass328.13
IUPAC NameN-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(C)(C)NC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C15H21FN2O3S/c1-15(2,3)17-14(19)13-5-4-10-18(13)22(20,21)12-8-6-11(16)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,17,19)
InChIKeyPNHBHCKSIAEGFE-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 2947822) is N-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is CC(C)(C)NC(=O)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is PNHBHCKSIAEGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3S/c1-15(2,3)17-14(19)13-5-4-10-18(13)22(20,21)12-8-6-11(16)7-9-12/h6-9,13H,4-5,10H2,1-3H3,(H,17,19).
What are the key properties of N-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 328.41 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 2947822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).