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

C19H23FN4O2S — CID 67645993

IUPACN-[2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide
SMILESCN(C)CCN1NCC(c2ccc(F)cc2)=C1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23FN4O2S/c1-23(2)12-13-24-19(22-27(25,26)17-6-4-3-5-7-17)18(14-21-24)15-8-10-16(20)11-9-15/h3-11,21-22H,12-14H2,1-2H3
InChIKeyVFZJFCQEQDIQEY-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.85
Rot. Bonds7

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

N-[2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide (PubChem CID 67645993) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide
PubChem CID67645993
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC NameN-[2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide
SMILESCN(C)CCN1NCC(c2ccc(F)cc2)=C1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H23FN4O2S/c1-23(2)12-13-24-19(22-27(25,26)17-6-4-3-5-7-17)18(14-21-24)15-8-10-16(20)11-9-15/h3-11,21-22H,12-14H2,1-2H3
InChIKeyVFZJFCQEQDIQEY-UHFFFAOYSA-N
XLogP1.85
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(dimethylamino)ethyl]-4-(3-fluoro-4-methylphenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide
CID 67644995
N-[2-(4-fluorophenyl)cyclopenten-1-yl]-N-methylbenzenesulfonamide
CID 67558227
N-[1-[2-(dimethylamino)ethyl]-4-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzenesulfonamide
CID 67646273
4-fluoro-N-[3-[2-(N-methylanilino)ethoxy]pyrazin-2-yl]benzenesulfonamide
CID 23076244
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide
CID 38021503
N-[4-(4-fluorophenyl)-1-prop-2-enylpyrazol-3-yl]benzenesulfonamide
CID 67646420
N-[2-(N,4-dimethylanilino)cyclohexyl]benzenesulfonamide
CID 23604948
4-[(4-fluorophenyl)sulfonylamino]-N-methyl-N-phenylbenzamide
CID 51161114
N-[(1R,2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784690
N-[2-(benzenesulfonamido)-4-fluorophenyl]benzenesulfonamide
CID 70139608
N-[2-(bromomethyl)cyclohexyl]-4-fluorobenzenesulfonamide
CID 106367656

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide (CID 67645993) is N-[2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide is CN(C)CCN1NCC(c2ccc(F)cc2)=C1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide?
The InChIKey is VFZJFCQEQDIQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c1-23(2)12-13-24-19(22-27(25,26)17-6-4-3-5-7-17)18(14-21-24)15-8-10-16(20)11-9-15/h3-11,21-22H,12-14H2,1-2H3.
What are the key properties of N-[2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide?
N-[2-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide has a molecular weight of 390.48 g/mol, XLogP of 1.85, 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-(4-fluorophenyl)-1,5-dihydropyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67645993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).