N-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide

C20H25FN4O2S — CID 67644995

IUPACN-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(C2=C(NS(=O)(=O)c3ccccc3)N(CCN(C)C)NC2)cc1F
InChIInChI=1S/C20H25FN4O2S/c1-15-9-10-16(13-19(15)21)18-14-22-25(12-11-24(2)3)20(18)23-28(26,27)17-7-5-4-6-8-17/h4-10,13,22-23H,11-12,14H2,1-3H3
InChIKeyRVBQKOXVJQOEJB-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.16
Rot. Bonds7

About N-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide

N-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide (PubChem CID 67644995) has the molecular formula C20H25FN4O2S and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide
PubChem CID67644995
Molecular FormulaC20H25FN4O2S
Molecular Weight404.51 g/mol
Exact Mass404.17
IUPAC NameN-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(C2=C(NS(=O)(=O)c3ccccc3)N(CCN(C)C)NC2)cc1F
InChIInChI=1S/C20H25FN4O2S/c1-15-9-10-16(13-19(15)21)18-14-22-25(12-11-24(2)3)20(18)23-28(26,27)17-7-5-4-6-8-17/h4-10,13,22-23H,11-12,14H2,1-3H3
InChIKeyRVBQKOXVJQOEJB-UHFFFAOYSA-N
XLogP2.16
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide
CID 67645993
N-[4-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzenesulfonamide
CID 67644840
N-[2,3,4,5-tetrafluoro-6-(4-fluoro-3-methylphenyl)phenyl]benzenesulfonamide
CID 23217439
N-[5-(benzenesulfonamido)-4-fluoro-2-methylphenyl]benzenesulfonamide
CID 19431161
N-[1-(cyanomethyl)-4-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67646337
N-[1-[2-(dimethylamino)ethyl]-4-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67646273
N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide
CID 38021503
N-[cyclopentylidene-(3-fluoro-4-methylphenyl)methyl]benzenesulfonamide
CID 57301144
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
N-[5-[(dimethylamino)methyl]-2-methylphenyl]-4-fluorobenzenesulfonamide
CID 91650299
5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-phenylbenzamide
CID 34494912
N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide
CID 23604948

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide (CID 67644995) is N-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide is Cc1ccc(C2=C(NS(=O)(=O)c3ccccc3)N(CCN(C)C)NC2)cc1F.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide?
The InChIKey is RVBQKOXVJQOEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2S/c1-15-9-10-16(13-19(15)21)18-14-22-25(12-11-24(2)3)20(18)23-28(26,27)17-7-5-4-6-8-17/h4-10,13,22-23H,11-12,14H2,1-3H3.
What are the key properties of N-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide?
N-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide has a molecular weight of 404.51 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67644995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).