1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine

C15H19FN4O3S — CID 91905089

IUPAC1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
SMILESCOCc1nncn1C1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN4O3S/c1-23-10-15-18-17-11-20(15)13-5-7-19(8-6-13)24(21,22)14-4-2-3-12(16)9-14/h2-4,9,11,13H,5-8,10H2,1H3
InChIKeyCLSYTEYOKQPDKD-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.59
Rot. Bonds5

About 1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine

1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine (PubChem CID 91905089) has the molecular formula C15H19FN4O3S and a molecular weight of 354.41 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
PubChem CID91905089
Molecular FormulaC15H19FN4O3S
Molecular Weight354.41 g/mol
Exact Mass354.12
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
SMILESCOCc1nncn1C1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN4O3S/c1-23-10-15-18-17-11-20(15)13-5-7-19(8-6-13)24(21,22)14-4-2-3-12(16)9-14/h2-4,9,11,13H,5-8,10H2,1H3
InChIKeyCLSYTEYOKQPDKD-UHFFFAOYSA-N
XLogP1.59
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine 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

1-(5-fluoro-2-methylphenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine
CID 91905082
4-[3-(2-methoxyethyl)-1,2,4-triazol-4-yl]-1-(3-methoxyphenyl)sulfonylpiperidine
CID 91905002
1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzimidazole
CID 23641500
1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine
CID 24732947
1-(3-fluorophenyl)sulfonyl-4-(triazol-1-yl)piperidine
CID 121151444
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
CID 91914700
5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole
CID 1469807
1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine
CID 46086751
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methoxy-N-(oxan-4-yl)acetamide
CID 91906159
1-(3,4-dichlorophenyl)sulfonyl-4-(3-fluorophenyl)sulfonylpiperazine
CID 55352199
1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine (CID 91905089) is 1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine is COCc1nncn1C1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine?
The InChIKey is CLSYTEYOKQPDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3S/c1-23-10-15-18-17-11-20(15)13-5-7-19(8-6-13)24(21,22)14-4-2-3-12(16)9-14/h2-4,9,11,13H,5-8,10H2,1H3.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine?
1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine has a molecular weight of 354.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-4-[3-(methoxymethyl)-1,2,4-triazol-4-yl]piperidine is sourced from PubChem (CID 91905089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).