1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide

C15H19FN2O4S — CID 46944119

IUPAC1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide
SMILESCCCC(=O)N1CCC1(C)C(=O)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H19FN2O4S/c1-3-5-13(19)18-9-8-15(18,2)14(20)17-23(21,22)12-7-4-6-11(16)10-12/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,17,20)
InChIKeyZDACQRDGMYOQSW-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.42
Rot. Bonds5

About 1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide

1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide (PubChem CID 46944119) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide
PubChem CID46944119
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide
SMILESCCCC(=O)N1CCC1(C)C(=O)NS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C15H19FN2O4S/c1-3-5-13(19)18-9-8-15(18,2)14(20)17-23(21,22)12-7-4-6-11(16)10-12/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,17,20)
InChIKeyZDACQRDGMYOQSW-UHFFFAOYSA-N
XLogP1.42
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)sulfonyl-2-methyl-1-(2-phenylacetyl)azetidine-2-carboxamide
CID 46948163
N-(3-cyanophenyl)sulfonyl-2-methyl-1-[2-(4-phenylphenyl)acetyl]azetidine-2-carboxamide
CID 46947893
N-(3-cyanophenyl)sulfonyl-1-(furan-2-carbonyl)-2-methylazetidine-2-carboxamide
CID 46947985
3-fluoro-N-propylbenzenesulfonamide
CID 43212857
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 78781800
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzenesulfonamide
CID 7517556
1-acetyl-N-(3-bromophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 110166515
1-amino-N-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 119731455
2-[(3-fluorophenyl)sulfonylamino]-2-methylpropanoic acid
CID 61262307
3-(4-ethylphenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 9429037
2-methyl-N-phenyl-1-propanoylazetidine-2-carboxamide
CID 46948259
N-[3-(aminomethyl)pentan-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119981274

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide?
The IUPAC name of 1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide (CID 46944119) is 1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide.
What is the SMILES notation for 1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide?
The canonical SMILES for 1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide is CCCC(=O)N1CCC1(C)C(=O)NS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide?
The InChIKey is ZDACQRDGMYOQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c1-3-5-13(19)18-9-8-15(18,2)14(20)17-23(21,22)12-7-4-6-11(16)10-12/h4,6-7,10H,3,5,8-9H2,1-2H3,(H,17,20).
What are the key properties of 1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide?
1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide has a molecular weight of 342.39 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-(3-fluorophenyl)sulfonyl-2-methylazetidine-2-carboxamide is sourced from PubChem (CID 46944119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).