3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide

C15H15FN4O3S — CID 4805334

IUPAC3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2nnn(OCc3ccc(F)cc3)c2c1
InChIInChI=1S/C15H15FN4O3S/c1-19(2)24(21,22)13-7-8-14-15(9-13)20(18-17-14)23-10-11-3-5-12(16)6-4-11/h3-9H,10H2,1-2H3
InChIKeyAZIDDBRSWXZWFS-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.45
Rot. Bonds5

About 3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide

3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide (PubChem CID 4805334) has the molecular formula C15H15FN4O3S and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
PubChem CID4805334
Molecular FormulaC15H15FN4O3S
Molecular Weight350.38 g/mol
Exact Mass350.08
IUPAC Name3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2nnn(OCc3ccc(F)cc3)c2c1
InChIInChI=1S/C15H15FN4O3S/c1-19(2)24(21,22)13-7-8-14-15(9-13)20(18-17-14)23-10-11-3-5-12(16)6-4-11/h3-9H,10H2,1-2H3
InChIKeyAZIDDBRSWXZWFS-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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Related Compounds

N,N-dimethyl-3-phenylmethoxybenzotriazole-5-sulfonamide
CID 7696323
3-[(4-tert-butylphenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
CID 7696557
3-[(2-chloro-4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
CID 26054753
N,N-dimethyl-3-[2-(2-methylphenoxy)ethoxy]benzotriazole-5-sulfonamide
CID 7696545
3-[2-(4-methoxyphenoxy)ethoxy]-N,N-dimethylbenzotriazole-5-sulfonamide
CID 7696551
N,N-dimethyl-3-(3-phenoxypropoxy)benzotriazole-5-sulfonamide
CID 17404202
N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
CID 7696381
4-[[2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetyl]amino]-N,N-dimethylbenzamide
CID 24607409
N-(1-adamantyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
CID 3403053
1-[(4-bromophenyl)methoxy]-6-(3,5-dimethylpiperidin-1-yl)sulfonylbenzotriazole
CID 112788487
2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxy-N-(1,1-dioxothiolan-3-yl)acetamide
CID 16545352
methyl 3-[(4-methoxycarbonylphenyl)methoxy]benzotriazole-5-carboxylate
CID 7705938

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide?
The IUPAC name of 3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide (CID 4805334) is 3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide.
What is the SMILES notation for 3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide?
The canonical SMILES for 3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2nnn(OCc3ccc(F)cc3)c2c1.
What is the InChIKey of 3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide?
The InChIKey is AZIDDBRSWXZWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O3S/c1-19(2)24(21,22)13-7-8-14-15(9-13)20(18-17-14)23-10-11-3-5-12(16)6-4-11/h3-9H,10H2,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide?
3-[(4-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-[(4-fluorophenyl)methoxy]-N,N-dimethylbenzotriazole-5-sulfonamide is sourced from PubChem (CID 4805334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).