(2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C14H14FN3O3S2 — CID 11936614

IUPAC(2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H14FN3O3S2/c15-10-4-1-2-6-12(10)23(20,21)18-8-3-5-11(18)13(19)17-14-16-7-9-22-14/h1-2,4,6-7,9,11H,3,5,8H2,(H,16,17,19)/t11-/m0/s1
InChIKeyJZJWMVBRHWKJAR-NSHDSACASA-N
MW355.42 g/mol
LogP2.07
Rot. Bonds4

About (2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

(2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 11936614) has the molecular formula C14H14FN3O3S2 and a molecular weight of 355.42 g/mol. Its IUPAC name is (2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID11936614
Molecular FormulaC14H14FN3O3S2
Molecular Weight355.42 g/mol
Exact Mass355.05
IUPAC Name(2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C14H14FN3O3S2/c15-10-4-1-2-6-12(10)23(20,21)18-8-3-5-11(18)13(19)17-14-16-7-9-22-14/h1-2,4,6-7,9,11H,3,5,8H2,(H,16,17,19)/t11-/m0/s1
InChIKeyJZJWMVBRHWKJAR-NSHDSACASA-N
XLogP2.07
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 11936614) is (2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of (2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is JZJWMVBRHWKJAR-NSHDSACASA-N. The full InChI is InChI=1S/C14H14FN3O3S2/c15-10-4-1-2-6-12(10)23(20,21)18-8-3-5-11(18)13(19)17-14-16-7-9-22-14/h1-2,4,6-7,9,11H,3,5,8H2,(H,16,17,19)/t11-/m0/s1.
What are the key properties of (2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
(2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 355.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 11936614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).