N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide

C20H22FN3O2S — CID 55906754

IUPACN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1cc(C)n(-c2ccc(CCNS(=O)(=O)Cc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H22FN3O2S/c1-15-13-16(2)24(23-15)20-9-5-17(6-10-20)11-12-22-27(25,26)14-18-3-7-19(21)8-4-18/h3-10,13,22H,11-12,14H2,1-2H3
InChIKeyHSEBLAMIIRVFNI-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.29
Rot. Bonds7

About N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 55906754) has the molecular formula C20H22FN3O2S and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID55906754
Molecular FormulaC20H22FN3O2S
Molecular Weight387.48 g/mol
Exact Mass387.14
IUPAC NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1cc(C)n(-c2ccc(CCNS(=O)(=O)Cc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C20H22FN3O2S/c1-15-13-16(2)24(23-15)20-9-5-17(6-10-20)11-12-22-27(25,26)14-18-3-7-19(21)8-4-18/h3-10,13,22H,11-12,14H2,1-2H3
InChIKeyHSEBLAMIIRVFNI-UHFFFAOYSA-N
XLogP3.29
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]methanesulfonamide
CID 56581950
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propane-1-sulfonamide
CID 47071864
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55905718
1-(4-fluorophenyl)-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]methanesulfonamide
CID 110791557
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 99817476
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3,4-diethoxybenzenesulfonamide
CID 55905205
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 78785341
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 55707242
1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole
CID 161390524
1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718501
3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 55707001
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide (CID 55906754) is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide is Cc1cc(C)n(-c2ccc(CCNS(=O)(=O)Cc3ccc(F)cc3)cc2)n1.
What is the InChIKey of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is HSEBLAMIIRVFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2S/c1-15-13-16(2)24(23-15)20-9-5-17(6-10-20)11-12-22-27(25,26)14-18-3-7-19(21)8-4-18/h3-10,13,22H,11-12,14H2,1-2H3.
What are the key properties of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 387.48 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 55906754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).