N-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

C18H17FN4O3S — CID 17464607

IUPACN-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nn1cnc2ccccc21)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O3S/c19-13-7-9-14(10-8-13)27(25,26)23-11-3-6-17(23)18(24)21-22-12-20-15-4-1-2-5-16(15)22/h1-2,4-5,7-10,12,17H,3,6,11H2,(H,21,24)
InChIKeyGZSQXYIBVUMVLD-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.10
Rot. Bonds4

About N-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide

N-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 17464607) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID17464607
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC NameN-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
SMILESO=C(Nn1cnc2ccccc21)C1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O3S/c19-13-7-9-14(10-8-13)27(25,26)23-11-3-6-17(23)18(24)21-22-12-20-15-4-1-2-5-16(15)22/h1-2,4-5,7-10,12,17H,3,6,11H2,(H,21,24)
InChIKeyGZSQXYIBVUMVLD-UHFFFAOYSA-N
XLogP2.10
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide (CID 17464607) is N-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is O=C(Nn1cnc2ccccc21)C1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is GZSQXYIBVUMVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c19-13-7-9-14(10-8-13)27(25,26)23-11-3-6-17(23)18(24)21-22-12-20-15-4-1-2-5-16(15)22/h1-2,4-5,7-10,12,17H,3,6,11H2,(H,21,24).
What are the key properties of N-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide?
N-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 17464607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).