1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole

C18H19FN4O3S — CID 7671415

IUPAC1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole
SMILESO=S(=O)(c1ccc2nnn(OCc3ccc(F)cc3)c2c1)N1CCCCC1
InChIInChI=1S/C18H19FN4O3S/c19-15-6-4-14(5-7-15)13-26-23-18-12-16(8-9-17(18)20-21-23)27(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13H2
InChIKeyILTNJXGHEBZHCU-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.37
Rot. Bonds5

About 1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole

1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole (PubChem CID 7671415) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole
PubChem CID7671415
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole
SMILESO=S(=O)(c1ccc2nnn(OCc3ccc(F)cc3)c2c1)N1CCCCC1
InChIInChI=1S/C18H19FN4O3S/c19-15-6-4-14(5-7-15)13-26-23-18-12-16(8-9-17(18)20-21-23)27(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13H2
InChIKeyILTNJXGHEBZHCU-UHFFFAOYSA-N
XLogP2.37
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
CID 4805334
1-[(4-bromophenyl)methoxy]-6-(3,5-dimethylpiperidin-1-yl)sulfonylbenzotriazole
CID 112788487
1-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpiperidin-1-yl)sulfonylbenzotriazole
CID 112788491
N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide
CID 7696323
3-[(4-tert-butylphenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
CID 7696557
4-[3-[(1-butyltetrazol-5-yl)methoxy]benzotriazol-5-yl]sulfonylmorpholine
CID 55626704
2-(4-fluorophenyl)-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)acetamide
CID 4047016
N-cyclopropyl-2-[6-[(3S)-3-methylpiperidin-1-yl]sulfonylbenzotriazol-1-yl]oxyacetamide
CID 7714347
1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide
CID 55530270
6-(azepan-1-ylsulfonyl)-1H-benzimidazole
CID 110759998
4-[[6-(3-methylpiperidin-1-yl)sulfonylbenzotriazol-1-yl]oxymethyl]-2-thiophen-2-yl-1,3-oxazole
CID 42989198
2-chloro-N-[2-(4-fluorophenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 4002004

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole?
The IUPAC name of 1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole (CID 7671415) is 1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole?
The canonical SMILES for 1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole is O=S(=O)(c1ccc2nnn(OCc3ccc(F)cc3)c2c1)N1CCCCC1.
What is the InChIKey of 1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole?
The InChIKey is ILTNJXGHEBZHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c19-15-6-4-14(5-7-15)13-26-23-18-12-16(8-9-17(18)20-21-23)27(24,25)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11,13H2.
What are the key properties of 1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole?
1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole has a molecular weight of 390.44 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methoxy]-6-piperidin-1-ylsulfonylbenzotriazole is sourced from PubChem (CID 7671415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).