N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide

C19H20FN3O2S — CID 17398702

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2S/c1-14-19(15(2)23(21-14)17-7-5-4-6-8-17)13-22(3)26(24,25)18-11-9-16(20)10-12-18/h4-12H,13H2,1-3H3
InChIKeyOVRBIDWVSVFWOU-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.45
Rot. Bonds5

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 17398702) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
PubChem CID17398702
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H20FN3O2S/c1-14-19(15(2)23(21-14)17-7-5-4-6-8-17)13-22(3)26(24,25)18-11-9-16(20)10-12-18/h4-12H,13H2,1-3H3
InChIKeyOVRBIDWVSVFWOU-UHFFFAOYSA-N
XLogP3.45
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide 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

4-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylbenzenesulfonamide
CID 18192071
2-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide
CID 55560237
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 9117745
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluorobenzenesulfonamide
CID 7028073
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,5-trimethylpiperidine-1-sulfonamide
CID 134002490
(2S,6S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,2,6-trimethylmorpholine-4-sulfonamide
CID 98445650
6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N,N-diethylpyridin-1-ium-3-sulfonamide
CID 9340388
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 4825742
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 9268418
(2R)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]propanoic acid
CID 97065604
2-[(4-acetylphenyl)sulfonylamino]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 154835046
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 112788270

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide (CID 17398702) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is OVRBIDWVSVFWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-14-19(15(2)23(21-14)17-7-5-4-6-8-17)13-22(3)26(24,25)18-11-9-16(20)10-12-18/h4-12H,13H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 373.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 17398702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).