N-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide

C14H19FN2O3S2 — CID 51107724

IUPACN-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CSCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O3S2/c1-14(2,3)16-13(18)12-8-21-9-17(12)22(19,20)11-6-4-5-10(15)7-11/h4-7,12H,8-9H2,1-3H3,(H,16,18)
InChIKeyKKZICJREXHUOEP-UHFFFAOYSA-N
MW346.45 g/mol
LogP1.80
Rot. Bonds3

About N-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide

N-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide (PubChem CID 51107724) has the molecular formula C14H19FN2O3S2 and a molecular weight of 346.45 g/mol. Its IUPAC name is N-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
PubChem CID51107724
Molecular FormulaC14H19FN2O3S2
Molecular Weight346.45 g/mol
Exact Mass346.08
IUPAC NameN-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CSCN1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C14H19FN2O3S2/c1-14(2,3)16-13(18)12-8-21-9-17(12)22(19,20)11-6-4-5-10(15)7-11/h4-7,12H,8-9H2,1-3H3,(H,16,18)
InChIKeyKKZICJREXHUOEP-UHFFFAOYSA-N
XLogP1.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of N-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide (CID 51107724) is N-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide is CC(C)(C)NC(=O)C1CSCN1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
The InChIKey is KKZICJREXHUOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3S2/c1-14(2,3)16-13(18)12-8-21-9-17(12)22(19,20)11-6-4-5-10(15)7-11/h4-7,12H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide?
N-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide has a molecular weight of 346.45 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-fluorophenyl)sulfonyl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 51107724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).