N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide

C19H22FN3O3S — CID 120737744

IUPACN-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-2-22-27(25,26)17-8-6-14(7-9-17)19(24)23-11-10-21-13-18(23)15-4-3-5-16(20)12-15/h3-9,12,18,21-22H,2,10-11,13H2,1H3
InChIKeyOXPUANNKASGUSU-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.91
Rot. Bonds5

About N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide

N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide (PubChem CID 120737744) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
PubChem CID120737744
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC NameN-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-2-22-27(25,26)17-8-6-14(7-9-17)19(24)23-11-10-21-13-18(23)15-4-3-5-16(20)12-15/h3-9,12,18,21-22H,2,10-11,13H2,1H3
InChIKeyOXPUANNKASGUSU-UHFFFAOYSA-N
XLogP1.91
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(2-pyridin-3-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 120732145
1-[4-[2-(3-fluorophenyl)piperazine-1-carbonyl]phenyl]propan-1-one;hydrochloride
CID 120736893
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120737442
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylphenyl)methanone;hydrochloride
CID 120737441
[2-(3-fluorophenyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 120737064
N,N-diethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120736229
[2-(3-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 120736705
[4-(4-ethylpiperazin-1-yl)phenyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737828
N-[5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylphenyl]methanesulfonamide
CID 120737706
(3,4-dimethylphenyl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120737461
2-ethylsulfonyl-1-[2-(3-fluorophenyl)piperazin-1-yl]ethanone
CID 120736236
N-ethyl-4-[(2S)-2-(4-fluorophenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 32626765

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide (CID 120737744) is N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide is CCNS(=O)(=O)c1ccc(C(=O)N2CCNCC2c2cccc(F)c2)cc1.
What is the InChIKey of N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide?
The InChIKey is OXPUANNKASGUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-2-22-27(25,26)17-8-6-14(7-9-17)19(24)23-11-10-21-13-18(23)15-4-3-5-16(20)12-15/h3-9,12,18,21-22H,2,10-11,13H2,1H3.
What are the key properties of N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide?
N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide has a molecular weight of 391.47 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(3-fluorophenyl)piperazine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 120737744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).