3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide

C17H18FN5O3S — CID 53064456

IUPAC3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)Nc1ccccc1F
InChIInChI=1S/C17H18FN5O3S/c1-22(2)27(25,26)12-7-8-16-15(11-12)20-21-23(16)10-9-17(24)19-14-6-4-3-5-13(14)18/h3-8,11H,9-10H2,1-2H3,(H,19,24)
InChIKeyYSTYCMLSNAVTTE-UHFFFAOYSA-N
MW391.43 g/mol
LogP1.85
Rot. Bonds6

About 3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide

3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 53064456) has the molecular formula C17H18FN5O3S and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide
PubChem CID53064456
Molecular FormulaC17H18FN5O3S
Molecular Weight391.43 g/mol
Exact Mass391.11
IUPAC Name3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)Nc1ccccc1F
InChIInChI=1S/C17H18FN5O3S/c1-22(2)27(25,26)12-7-8-16-15(11-12)20-21-23(16)10-9-17(24)19-14-6-4-3-5-13(14)18/h3-8,11H,9-10H2,1-2H3,(H,19,24)
InChIKeyYSTYCMLSNAVTTE-UHFFFAOYSA-N
XLogP1.85
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide 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

3-[5-(diethylsulfamoyl)benzotriazol-1-yl]-N-(4-fluorophenyl)propanamide
CID 53064527
N-(4-acetylphenyl)-4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]butanamide
CID 53077664
N-(4-acetamidophenyl)-3-[5-(diethylsulfamoyl)benzotriazol-1-yl]propanamide
CID 53064568
N-(2-chlorophenyl)-3-(5-piperidin-1-ylsulfonylbenzotriazol-1-yl)propanamide
CID 53064382
N-(1,3-benzodioxol-5-ylmethyl)-3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanamide
CID 53064465
1-(3-chloro-4-fluorophenyl)-3-[2-[5-(dimethylsulfamoyl)benzotriazol-1-yl]ethyl]urea
CID 53110907
N-(1,3-benzothiazol-2-yl)-3-[5-(diethylsulfamoyl)benzotriazol-1-yl]propanamide
CID 53064544
3-[5-(diethylsulfamoyl)benzotriazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 46320685
3-[5-(diethylsulfamoyl)benzotriazol-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 53064559
N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051721
4-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 53077736
1-[3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]propanoyl]piperidine-4-carboxamide
CID 53064458

Frequently Asked Questions

What is the IUPAC name of 3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide (CID 53064456) is 3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide is CN(C)S(=O)(=O)c1ccc2c(c1)nnn2CCC(=O)Nc1ccccc1F.
What is the InChIKey of 3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is YSTYCMLSNAVTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O3S/c1-22(2)27(25,26)12-7-8-16-15(11-12)20-21-23(16)10-9-17(24)19-14-6-4-3-5-13(14)18/h3-8,11H,9-10H2,1-2H3,(H,19,24).
What are the key properties of 3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide?
3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 391.43 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(dimethylsulfamoyl)benzotriazol-1-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 53064456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).