3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide

C15H15FN4O3S — CID 7696569

IUPAC3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2nnn(OCc3ccccc3F)c2c1
InChIInChI=1S/C15H15FN4O3S/c1-19(2)24(21,22)12-7-8-14-15(9-12)20(18-17-14)23-10-11-5-3-4-6-13(11)16/h3-9H,10H2,1-2H3
InChIKeyQQLSUEJFSBWLAB-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.45
Rot. Bonds5

About 3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide

3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide (PubChem CID 7696569) has the molecular formula C15H15FN4O3S and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
PubChem CID7696569
Molecular FormulaC15H15FN4O3S
Molecular Weight350.38 g/mol
Exact Mass350.08
IUPAC Name3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2nnn(OCc3ccccc3F)c2c1
InChIInChI=1S/C15H15FN4O3S/c1-19(2)24(21,22)12-7-8-14-15(9-12)20(18-17-14)23-10-11-5-3-4-6-13(11)16/h3-9H,10H2,1-2H3
InChIKeyQQLSUEJFSBWLAB-UHFFFAOYSA-N
XLogP1.45
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide?
The IUPAC name of 3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide (CID 7696569) is 3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide.
What is the SMILES notation for 3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide?
The canonical SMILES for 3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2nnn(OCc3ccccc3F)c2c1.
What is the InChIKey of 3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide?
The InChIKey is QQLSUEJFSBWLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3S/c1-19(2)24(21,22)12-7-8-14-15(9-12)20(18-17-14)23-10-11-5-3-4-6-13(11)16/h3-9H,10H2,1-2H3.
What are the key properties of 3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide?
3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide has a molecular weight of 350.38 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide is sourced from PubChem (CID 7696569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).