5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide

C17H19FN4O3S — CID 52986273

IUPAC5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C17H19FN4O3S/c1-26(24,25)22-14-5-3-2-4-13(14)19-17(23)16-10-15(20-21-16)11-6-8-12(18)9-7-11/h2-9,15-16,20-22H,10H2,1H3,(H,19,23)
InChIKeyPOEHGVYIWQKLIV-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.74
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide

5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide (PubChem CID 52986273) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide
PubChem CID52986273
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC Name5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide
SMILESCS(=O)(=O)Nc1ccccc1NC(=O)C1CC(c2ccc(F)cc2)NN1
InChIInChI=1S/C17H19FN4O3S/c1-26(24,25)22-14-5-3-2-4-13(14)19-17(23)16-10-15(20-21-16)11-6-8-12(18)9-7-11/h2-9,15-16,20-22H,10H2,1H3,(H,19,23)
InChIKeyPOEHGVYIWQKLIV-UHFFFAOYSA-N
XLogP1.74
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide (CID 52986273) is 5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide is CS(=O)(=O)Nc1ccccc1NC(=O)C1CC(c2ccc(F)cc2)NN1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide?
The InChIKey is POEHGVYIWQKLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-26(24,25)22-14-5-3-2-4-13(14)19-17(23)16-10-15(20-21-16)11-6-8-12(18)9-7-11/h2-9,15-16,20-22H,10H2,1H3,(H,19,23).
What are the key properties of 5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide?
5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[2-(methanesulfonamido)phenyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 52986273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).