N-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide

C11H13FN2O3S — CID 141198076

IUPACN-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide
SMILESO=C(NS(=O)(=O)Cc1cccc(F)c1)C1CNC1
InChIInChI=1S/C11H13FN2O3S/c12-10-3-1-2-8(4-10)7-18(16,17)14-11(15)9-5-13-6-9/h1-4,9,13H,5-7H2,(H,14,15)
InChIKeyYHDRBPHJRFCIAV-UHFFFAOYSA-N
MW272.30 g/mol
LogP-0.01
Rot. Bonds4

About N-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide

N-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide (PubChem CID 141198076) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide
PubChem CID141198076
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC NameN-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide
SMILESO=C(NS(=O)(=O)Cc1cccc(F)c1)C1CNC1
InChIInChI=1S/C11H13FN2O3S/c12-10-3-1-2-8(4-10)7-18(16,17)14-11(15)9-5-13-6-9/h1-4,9,13H,5-7H2,(H,14,15)
InChIKeyYHDRBPHJRFCIAV-UHFFFAOYSA-N
XLogP-0.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide (CID 141198076) is N-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide is O=C(NS(=O)(=O)Cc1cccc(F)c1)C1CNC1.
What is the InChIKey of N-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide?
The InChIKey is YHDRBPHJRFCIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c12-10-3-1-2-8(4-10)7-18(16,17)14-11(15)9-5-13-6-9/h1-4,9,13H,5-7H2,(H,14,15).
What are the key properties of N-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide?
N-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methylsulfonyl]azetidine-3-carboxamide is sourced from PubChem (CID 141198076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).