4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide

C18H21FN2O3S — CID 47006082

IUPAC4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(c2cccc(F)c2)N(C)C)cc1
InChIInChI=1S/C18H21FN2O3S/c1-13(22)14-7-9-17(10-8-14)25(23,24)20-12-18(21(2)3)15-5-4-6-16(19)11-15/h4-11,18,20H,12H2,1-3H3
InChIKeyNQUKATYNHKBVHW-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.61
Rot. Bonds7

About 4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide

4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 47006082) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID47006082
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCC(c2cccc(F)c2)N(C)C)cc1
InChIInChI=1S/C18H21FN2O3S/c1-13(22)14-7-9-17(10-8-14)25(23,24)20-12-18(21(2)3)15-5-4-6-16(19)11-15/h4-11,18,20H,12H2,1-3H3
InChIKeyNQUKATYNHKBVHW-UHFFFAOYSA-N
XLogP2.61
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 47006075
4-acetyl-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 4883799
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 43018910
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 55511899
1-[1-(dimethylamino)-2-(dimethylsulfamoylamino)ethyl]-3-fluorobenzene
CID 134035716
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 47006077
3-[[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]sulfamoyl]-2-methylbenzoic acid
CID 136531082
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24640053
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(1S)-1-(3-fluorophenyl)ethyl]benzamide
CID 41138201
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 47025184
4-acetyl-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79090168
N-[(2R)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzenesulfonamide
CID 7497842

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide (CID 47006082) is 4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCC(c2cccc(F)c2)N(C)C)cc1.
What is the InChIKey of 4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is NQUKATYNHKBVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-13(22)14-7-9-17(10-8-14)25(23,24)20-12-18(21(2)3)15-5-4-6-16(19)11-15/h4-11,18,20H,12H2,1-3H3.
What are the key properties of 4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide?
4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 364.44 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 47006082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).