(2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid

C15H15N3O4S — CID 122069731

IUPAC(2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C15H15N3O4S/c19-15(20)13-7-4-8-18(13)23(21,22)12-9-16-14(17-10-12)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H,19,20)/t13-/m0/s1
InChIKeyHKWHRSHNFTYDSP-ZDUSSCGKSA-N
MW333.37 g/mol
LogP1.38
Rot. Bonds4

About (2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid

(2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 122069731) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is (2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID122069731
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name(2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C15H15N3O4S/c19-15(20)13-7-4-8-18(13)23(21,22)12-9-16-14(17-10-12)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H,19,20)/t13-/m0/s1
InChIKeyHKWHRSHNFTYDSP-ZDUSSCGKSA-N
XLogP1.38
TPSA100.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069647
[1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 120711693
1-(4-phenylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 23381612
1-pyridin-3-ylsulfonylpiperidine-2-carboxylic acid
CID 24708710
1-(4-bromophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 2765073
2-phenyl-5-piperazin-1-ylsulfonylpyrimidine
CID 126766963
(2R)-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78923122
ethane;(2S)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 143806899
(2R)-1-(3-sulfamoylphenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 78920787
(2S)-1-(3-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 45290955
(2R)-1-(2-aminophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069629
[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-pyrrolidin-1-ylmethanone
CID 7221204

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid (CID 122069731) is (2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of (2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is HKWHRSHNFTYDSP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15N3O4S/c19-15(20)13-7-4-8-18(13)23(21,22)12-9-16-14(17-10-12)11-5-2-1-3-6-11/h1-3,5-6,9-10,13H,4,7-8H2,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid?
(2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 333.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-phenylpyrimidin-5-yl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122069731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).