1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid

C15H17FN2O5S — CID 119259135

IUPAC1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C15H17FN2O5S/c16-15(14(20)21)6-7-18(9-15)13(19)10-2-1-3-12(8-10)24(22,23)17-11-4-5-11/h1-3,8,11,17H,4-7,9H2,(H,20,21)
InChIKeyGWFPPMCPCJYRSI-UHFFFAOYSA-N
MW356.38 g/mol
LogP0.77
Rot. Bonds5

About 1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid

1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119259135) has the molecular formula C15H17FN2O5S and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119259135
Molecular FormulaC15H17FN2O5S
Molecular Weight356.38 g/mol
Exact Mass356.08
IUPAC Name1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESO=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C15H17FN2O5S/c16-15(14(20)21)6-7-18(9-15)13(19)10-2-1-3-12(8-10)24(22,23)17-11-4-5-11/h1-3,8,11,17H,4-7,9H2,(H,20,21)
InChIKeyGWFPPMCPCJYRSI-UHFFFAOYSA-N
XLogP0.77
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259392
3-[4-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119423037
N-cyclopentyl-3-[4-(3-fluorobenzoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30855365
N-cyclopropyl-3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 119622166
1-[3-(cyclopentylsulfamoyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 119354621
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfamoyl]benzoic acid
CID 53255861
1-[3-(cyclopropylmethylsulfamoyl)benzoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251819
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
N-cyclohexyl-3-(4-formylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063352
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopentylbenzenesulfonamide;hydrochloride
CID 119409335
3-[2-(aminomethyl)piperidine-1-carbonyl]-N-cyclopropylbenzenesulfonamide
CID 119466674
N-cyclohexyl-3-(4-ethylpiperazine-1-carbonyl)benzenesulfonamide
CID 109063351

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid (CID 119259135) is 1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid is O=C(c1cccc(S(=O)(=O)NC2CC2)c1)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is GWFPPMCPCJYRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O5S/c16-15(14(20)21)6-7-18(9-15)13(19)10-2-1-3-12(8-10)24(22,23)17-11-4-5-11/h1-3,8,11,17H,4-7,9H2,(H,20,21).
What are the key properties of 1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid?
1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 356.38 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylsulfamoyl)benzoyl]-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119259135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).