N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide

C19H20FN3O3S — CID 42955226

IUPACN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2cnn(-c3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C19H20FN3O3S/c1-13(22-27(24,25)18-10-8-17(26-3)9-11-18)19-12-21-23(14(19)2)16-6-4-15(20)5-7-16/h4-13,22H,1-3H3
InChIKeyXGEKXEHNWVXXAW-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.37
Rot. Bonds6

About N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide (PubChem CID 42955226) has the molecular formula C19H20FN3O3S and a molecular weight of 389.45 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
PubChem CID42955226
Molecular FormulaC19H20FN3O3S
Molecular Weight389.45 g/mol
Exact Mass389.12
IUPAC NameN-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2cnn(-c3ccc(F)cc3)c2C)cc1
InChIInChI=1S/C19H20FN3O3S/c1-13(22-27(24,25)18-10-8-17(26-3)9-11-18)19-12-21-23(14(19)2)16-6-4-15(20)5-7-16/h4-13,22H,1-3H3
InChIKeyXGEKXEHNWVXXAW-UHFFFAOYSA-N
XLogP3.37
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-fluorobenzenesulfonamide
CID 22208904
N-ethyl-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethanamine
CID 61273138
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-(trifluoromethoxy)benzamide
CID 55592880
1-[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]-N-methylethanamine
CID 107958317
2-(2-hydroxyphenoxy)-N-[(1R)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethyl]acetamide
CID 97114066
N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-methoxyphenyl)propan-2-yl]-4-nitrobenzenesulfonamide
CID 78015242
(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 95191019
(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 25277206
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22209016
1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]ethane-1,2-diamine
CID 170894623
2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 75444197
(2R)-N-(4-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124548460

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide (CID 42955226) is N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2cnn(-c3ccc(F)cc3)c2C)cc1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is XGEKXEHNWVXXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3S/c1-13(22-27(24,25)18-10-8-17(26-3)9-11-18)19-12-21-23(14(19)2)16-6-4-15(20)5-7-16/h4-13,22H,1-3H3.
What are the key properties of N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide?
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 389.45 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 42955226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).