N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide

C20H22FN3O3S — CID 24768973

IUPACN-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(F)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C20H22FN3O3S/c1-13(23-28(25,26)20-12-24(3)22-14(20)2)15-5-7-16(8-6-15)18-11-17(21)9-10-19(18)27-4/h5-13,23H,1-4H3/t13-/m1/s1
InChIKeyRLLQDASASRJZBV-CYBMUJFWSA-N
MW403.48 g/mol
LogP3.58
Rot. Bonds6

About N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 24768973) has the molecular formula C20H22FN3O3S and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID24768973
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC NameN-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCOc1ccc(F)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C20H22FN3O3S/c1-13(23-28(25,26)20-12-24(3)22-14(20)2)15-5-7-16(8-6-15)18-11-17(21)9-10-19(18)27-4/h5-13,23H,1-4H3/t13-/m1/s1
InChIKeyRLLQDASASRJZBV-CYBMUJFWSA-N
XLogP3.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 28560633
2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 18097044
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28958747
N-(2-methoxy-5-phenylphenyl)-1,3-dimethylpyrazole-4-sulfonamide
CID 16677699
3-tert-butyl-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methoxybenzenesulfonamide
CID 46979398
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169674
2-amino-4-fluoro-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 61126468
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 43874274
2-methoxy-4,5-dimethyl-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 40921810
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 24768973) is N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide is COc1ccc(F)cc1-c1ccc([C@@H](C)NS(=O)(=O)c2cn(C)nc2C)cc1.
What is the InChIKey of N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is RLLQDASASRJZBV-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H22FN3O3S/c1-13(23-28(25,26)20-12-24(3)22-14(20)2)15-5-7-16(8-6-15)18-11-17(21)9-10-19(18)27-4/h5-13,23H,1-4H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 403.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 24768973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).