N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide

C17H17ClFN5O4S — CID 24511902

IUPACN-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
SMILESCC(On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFN5O4S/c1-10(17(25)20-11-4-6-14(19)13(18)8-11)28-24-16-9-12(29(26,27)23(2)3)5-7-15(16)21-22-24/h4-10H,1-3H3,(H,20,25)
InChIKeyMFWYJBYVBUSRMS-UHFFFAOYSA-N
MW441.87 g/mol
LogP1.93
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide

N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide (PubChem CID 24511902) has the molecular formula C17H17ClFN5O4S and a molecular weight of 441.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
PubChem CID24511902
Molecular FormulaC17H17ClFN5O4S
Molecular Weight441.87 g/mol
Exact Mass441.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
SMILESCC(On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFN5O4S/c1-10(17(25)20-11-4-6-14(19)13(18)8-11)28-24-16-9-12(29(26,27)23(2)3)5-7-15(16)21-22-24/h4-10H,1-3H3,(H,20,25)
InChIKeyMFWYJBYVBUSRMS-UHFFFAOYSA-N
XLogP1.93
TPSA106.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.87
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-fluorophenyl)propanamide
CID 7697064
N-[2-(difluoromethoxy)phenyl]-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide
CID 24511911
N-(3,4-difluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxyacetamide
CID 7696381
2-(6-chlorobenzotriazol-1-yl)oxy-N-(3,4-dimethoxyphenyl)propanamide
CID 17419510
(2R)-2-(3-chloro-4-fluorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 8579892
N,N-dimethyl-3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]oxybenzotriazole-5-sulfonamide
CID 7919254
1-(3-chloro-4-fluorophenyl)-3-[2-[5-(dimethylsulfamoyl)benzotriazol-1-yl]ethyl]urea
CID 53110907
(2S)-2-(6-chlorobenzotriazol-1-yl)oxy-N-(4-piperidin-1-ylphenyl)propanamide
CID 7550497
(2S)-2-(benzotriazol-1-yloxy)-N-(3-chlorophenyl)propanamide
CID 7668539
2-[6-(diethylsulfamoyl)benzotriazol-1-yl]oxy-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 18285374
[1-(4-chloroanilino)-1-oxopropan-2-yl] 4-(dimethylsulfamoyl)benzoate
CID 55316848
3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide
CID 697776

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide (CID 24511902) is N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide is CC(On1nnc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide?
The InChIKey is MFWYJBYVBUSRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5O4S/c1-10(17(25)20-11-4-6-14(19)13(18)8-11)28-24-16-9-12(29(26,27)23(2)3)5-7-15(16)21-22-24/h4-10H,1-3H3,(H,20,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide?
N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide has a molecular weight of 441.87 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[6-(dimethylsulfamoyl)benzotriazol-1-yl]oxypropanamide is sourced from PubChem (CID 24511902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).