1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide

C14H16F2N2O3S — CID 90513497

IUPAC1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide
SMILESO=C(NCc1c(F)cccc1F)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C14H16F2N2O3S/c15-12-2-1-3-13(16)11(12)6-17-14(19)9-7-18(8-9)22(20,21)10-4-5-10/h1-3,9-10H,4-8H2,(H,17,19)
InChIKeyXPJYOOZVCFCANO-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.00
Rot. Bonds5

About 1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide

1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide (PubChem CID 90513497) has the molecular formula C14H16F2N2O3S and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide
PubChem CID90513497
Molecular FormulaC14H16F2N2O3S
Molecular Weight330.36 g/mol
Exact Mass330.08
IUPAC Name1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide
SMILESO=C(NCc1c(F)cccc1F)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C14H16F2N2O3S/c15-12-2-1-3-13(16)11(12)6-17-14(19)9-7-18(8-9)22(20,21)10-4-5-10/h1-3,9-10H,4-8H2,(H,17,19)
InChIKeyXPJYOOZVCFCANO-UHFFFAOYSA-N
XLogP1.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorobenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 5123394
1-(ethylsulfonyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 3237090
1-Phenylmethanesulfonyl-piperidine-4-carboxylic acid 3-fluoro-benzylamide
CID 648575
N-(4-fluorobenzyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3241926
N-[(4-fluorophenyl)methyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 3319672
N-[(4-fluorophenyl)methyl]-3-[2-(4-methylphenyl)ethenesulfonamido]propanamide
CID 16308596
N-[(2-fluorophenyl)methyl]-3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanamide
CID 9374893
2-{N-[(4-Fluorophenyl)methyl]methanesulfonamido}-N-(2-methylpropyl)acetamide
CID 16476705
N-((1-(4-fluorobenzyl)-5-oxopyrrolidin-3-yl)methyl)ethanesulfonamide
CID 16919871
3-(methanesulfonamido)-N-[(4-methylphenyl)methyl]propanamide
CID 47028252
N-cyclopentyl-N-[(2,6-difluorophenyl)methyl]-2-(methylsulfamoyl)acetamide
CID 71975187
Sdccgsbi-0118121.P001
CID 25461288

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide?
The IUPAC name of 1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide (CID 90513497) is 1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide is O=C(NCc1c(F)cccc1F)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide?
The InChIKey is XPJYOOZVCFCANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O3S/c15-12-2-1-3-13(16)11(12)6-17-14(19)9-7-18(8-9)22(20,21)10-4-5-10/h1-3,9-10H,4-8H2,(H,17,19).
What are the key properties of 1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide?
1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-[(2,6-difluorophenyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 90513497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).