1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide

C14H17FN2O3S — CID 90513367

IUPAC1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C14H17FN2O3S/c15-12-3-1-10(2-4-12)7-16-14(18)11-8-17(9-11)21(19,20)13-5-6-13/h1-4,11,13H,5-9H2,(H,16,18)
InChIKeyNLAKYNVKQYLKRH-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.87
Rot. Bonds5

About 1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide

1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide (PubChem CID 90513367) has the molecular formula C14H17FN2O3S and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide
PubChem CID90513367
Molecular FormulaC14H17FN2O3S
Molecular Weight312.37 g/mol
Exact Mass312.09
IUPAC Name1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1CN(S(=O)(=O)C2CC2)C1
InChIInChI=1S/C14H17FN2O3S/c15-12-3-1-10(2-4-12)7-16-14(18)11-8-17(9-11)21(19,20)13-5-6-13/h1-4,11,13H,5-9H2,(H,16,18)
InChIKeyNLAKYNVKQYLKRH-UHFFFAOYSA-N
XLogP0.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide?
The IUPAC name of 1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide (CID 90513367) is 1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide?
The canonical SMILES for 1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide is O=C(NCc1ccc(F)cc1)C1CN(S(=O)(=O)C2CC2)C1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide?
The InChIKey is NLAKYNVKQYLKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3S/c15-12-3-1-10(2-4-12)7-16-14(18)11-8-17(9-11)21(19,20)13-5-6-13/h1-4,11,13H,5-9H2,(H,16,18).
What are the key properties of 1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide?
1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-[(4-fluorophenyl)methyl]azetidine-3-carboxamide is sourced from PubChem (CID 90513367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).