5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide

C20H22FN3O3S — CID 24791402

IUPAC5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(-n2ncc(C(C)NS(=O)(=O)c3cc(F)ccc3C)c2C)cc1
InChIInChI=1S/C20H22FN3O3S/c1-13-5-6-16(21)11-20(13)28(25,26)23-14(2)19-12-22-24(15(19)3)17-7-9-18(27-4)10-8-17/h5-12,14,23H,1-4H3
InChIKeyRXNLCVBURCOPOS-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.68
Rot. Bonds6

About 5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide

5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide (PubChem CID 24791402) has the molecular formula C20H22FN3O3S and a molecular weight of 403.48 g/mol. Its IUPAC name is 5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide
PubChem CID24791402
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC Name5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(-n2ncc(C(C)NS(=O)(=O)c3cc(F)ccc3C)c2C)cc1
InChIInChI=1S/C20H22FN3O3S/c1-13-5-6-16(21)11-20(13)28(25,26)23-14(2)19-12-22-24(15(19)3)17-7-9-18(27-4)10-8-17/h5-12,14,23H,1-4H3
InChIKeyRXNLCVBURCOPOS-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methoxyphenyl)-3-(trifluoromethyl)-5-(4-sulfamoylphenyl)-1H-pyrazole
CID 10786971
N-[(2S)-1-[[1-(4-methoxyphenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 16666470
N-[(1R)-1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 24768971
(4aS)-1-(4-fluorophenyl)-6-(4-methoxyphenyl)sulfonyl-4a-methyl-4,5,7,8-tetrahydropyrazolo[5,4-g]isoquinoline
CID 44454906
N-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 1509138
N-[2-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 4594181
N-{4-[2-(4-Methoxy-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-phenyl}-methanesulfonamide
CID 10070193
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methylpiperidin-4-amine
CID 16187227
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-methoxybutan-2-amine
CID 16189801
N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 20914801
N-[(2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 24997743
N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 6464697

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide (CID 24791402) is 5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide is COc1ccc(-n2ncc(C(C)NS(=O)(=O)c3cc(F)ccc3C)c2C)cc1.
What is the InChIKey of 5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide?
The InChIKey is RXNLCVBURCOPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3S/c1-13-5-6-16(21)11-20(13)28(25,26)23-14(2)19-12-22-24(15(19)3)17-7-9-18(27-4)10-8-17/h5-12,14,23H,1-4H3.
What are the key properties of 5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide?
5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide has a molecular weight of 403.48 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 24791402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).