N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride

C18H21ClFN3O3S — CID 120764702

IUPACN-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl
InChIInChI=1S/C18H20FN3O3S.ClH/c1-13(23)21-16-5-7-17(8-6-16)26(24,25)22-10-9-20-12-18(22)14-3-2-4-15(19)11-14;/h2-8,11,18,20H,9-10,12H2,1H3,(H,21,23);1H
InChIKeyNTMZZYGZNDQKLB-UHFFFAOYSA-N
MW413.90 g/mol
LogP2.54
Rot. Bonds4

About N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride

N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride (PubChem CID 120764702) has the molecular formula C18H21ClFN3O3S and a molecular weight of 413.90 g/mol. Its IUPAC name is N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
PubChem CID120764702
Molecular FormulaC18H21ClFN3O3S
Molecular Weight413.90 g/mol
Exact Mass413.10
IUPAC NameN-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl
InChIInChI=1S/C18H20FN3O3S.ClH/c1-13(23)21-16-5-7-17(8-6-16)26(24,25)22-10-9-20-12-18(22)14-3-2-4-15(19)11-14;/h2-8,11,18,20H,9-10,12H2,1H3,(H,21,23);1H
InChIKeyNTMZZYGZNDQKLB-UHFFFAOYSA-N
XLogP2.54
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.90
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(4-ethylphenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 120765473
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-N,N-dimethylaniline;hydrochloride
CID 120764419
4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 120764946
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764715
methyl 3-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzoate;hydrochloride
CID 120764505
methyl 4-fluoro-2-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylbenzoate;hydrochloride
CID 120764590
2-(3-fluorophenyl)-1-(3-methyl-4-nitrophenyl)sulfonylpiperazine
CID 120764749
methyl 2-fluoro-6-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylbenzoate
CID 120764903
1-(2,6-dimethoxyphenyl)sulfonyl-2-(3-fluorophenyl)piperazine
CID 120764422
N-(4-fluorophenyl)-2-[2-(3-fluorophenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120756678
methyl 4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonyl-5-methylfuran-2-carboxylate;hydrochloride
CID 120764459
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-2-(3-fluorophenyl)piperazine
CID 120764645

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride?
The IUPAC name of N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride (CID 120764702) is N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride?
The canonical SMILES for N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride is CC(=O)Nc1ccc(S(=O)(=O)N2CCNCC2c2cccc(F)c2)cc1.Cl.
What is the InChIKey of N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride?
The InChIKey is NTMZZYGZNDQKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S.ClH/c1-13(23)21-16-5-7-17(8-6-16)26(24,25)22-10-9-20-12-18(22)14-3-2-4-15(19)11-14;/h2-8,11,18,20H,9-10,12H2,1H3,(H,21,23);1H.
What are the key properties of N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride?
N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride has a molecular weight of 413.90 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3-fluorophenyl)piperazin-1-yl]sulfonylphenyl]acetamide;hydrochloride is sourced from PubChem (CID 120764702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).