(2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid

C12H13FN2O5S — CID 167812921

IUPAC(2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)O)cc1F
InChIInChI=1S/C12H13FN2O5S/c13-8-6-7(3-4-10(8)21(14,19)20)11(16)15-5-1-2-9(15)12(17)18/h3-4,6,9H,1-2,5H2,(H,17,18)(H2,14,19,20)/t9-/m1/s1
InChIKeyRPABVDPGZGAEGV-SECBINFHSA-N
MW316.31 g/mol
LogP0.16
Rot. Bonds3

About (2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid

(2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid (PubChem CID 167812921) has the molecular formula C12H13FN2O5S and a molecular weight of 316.31 g/mol. Its IUPAC name is (2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid
PubChem CID167812921
Molecular FormulaC12H13FN2O5S
Molecular Weight316.31 g/mol
Exact Mass316.05
IUPAC Name(2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)O)cc1F
InChIInChI=1S/C12H13FN2O5S/c13-8-6-7(3-4-10(8)21(14,19)20)11(16)15-5-1-2-9(15)12(17)18/h3-4,6,9H,1-2,5H2,(H,17,18)(H2,14,19,20)/t9-/m1/s1
InChIKeyRPABVDPGZGAEGV-SECBINFHSA-N
XLogP0.16
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 13016794
(2R)-1-(4-amino-3-fluorobenzoyl)pyrrolidine-2-carboxylic acid
CID 78925672
1-(3-fluoro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 16775996
1-(3-fluoro-4-morpholin-4-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 119356021
1-(3-amino-4-bromobenzoyl)pyrrolidine-2-carboxylic acid
CID 107812953
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 81283582
(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid
CID 79034351
(2S)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxylic acid
CID 822734
(2S)-1-(naphthalene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 10508341
(2R)-1-(4-bromo-3-hydroxybenzoyl)piperidine-2-carboxylic acid
CID 114103310
1-(3-amino-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 61159154

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid (CID 167812921) is (2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid is NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)O)cc1F.
What is the InChIKey of (2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RPABVDPGZGAEGV-SECBINFHSA-N. The full InChI is InChI=1S/C12H13FN2O5S/c13-8-6-7(3-4-10(8)21(14,19)20)11(16)15-5-1-2-9(15)12(17)18/h3-4,6,9H,1-2,5H2,(H,17,18)(H2,14,19,20)/t9-/m1/s1.
What are the key properties of (2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 316.31 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-fluoro-4-sulfamoylbenzoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 167812921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).