2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline

C17H20FN3O2S — CID 18508958

IUPAC2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline
SMILESCNc1cc(N2CCNCC2)ccc1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C17H20FN3O2S/c1-19-16-12-14(21-9-7-20-8-10-21)5-6-17(16)24(22,23)15-4-2-3-13(18)11-15/h2-6,11-12,19-20H,7-10H2,1H3
InChIKeyRVQNSVMHSCADNC-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.11
Rot. Bonds4

About 2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline

2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline (PubChem CID 18508958) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline
PubChem CID18508958
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline
SMILESCNc1cc(N2CCNCC2)ccc1S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C17H20FN3O2S/c1-19-16-12-14(21-9-7-20-8-10-21)5-6-17(16)24(22,23)15-4-2-3-13(18)11-15/h2-6,11-12,19-20H,7-10H2,1H3
InChIKeyRVQNSVMHSCADNC-UHFFFAOYSA-N
XLogP2.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzenesulfonyl)-N-methyl-5-piperazin-1-ylaniline
CID 10131620
2-(3-chlorophenyl)sulfonyl-N-methyl-4-piperazin-1-ylaniline
CID 140652363
2-(3,5-difluorophenyl)sulfonyl-N-methyl-5-(4-methylpiperazin-1-yl)aniline
CID 18508888
N-[2-(3-fluorophenyl)sulfonyl-5-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18508923
2-(3-fluorophenyl)sulfonyl-5-(4-methyl-1,4-diazepan-1-yl)-N-propylaniline
CID 18508938
3-(3-fluorophenyl)sulfonyl-1-methyl-7-piperazin-1-ylindole
CID 10292728
1-(3-fluoro-4-methylsulfonylphenyl)piperazine
CID 69037581
N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-5-fluoro-2-methylbenzenesulfonamide;hydrochloride
CID 10166293
N-[2-(benzenesulfonamido)-4-piperazin-1-ylphenyl]-2,3-difluorobenzenesulfonamide
CID 91141043
3-piperazin-1-ylbenzenesulfonyl fluoride;hydrochloride
CID 166000810
7-(3-fluorophenyl)sulfonyl-3-piperazin-1-yl-1H-pyrrolo[3,2-b]pyridine;phosphoric acid
CID 68717491
1-[3-(3-fluorophenyl)phenyl]piperazine
CID 82088997

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline?
The IUPAC name of 2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline (CID 18508958) is 2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline.
What is the SMILES notation for 2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline?
The canonical SMILES for 2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline is CNc1cc(N2CCNCC2)ccc1S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline?
The InChIKey is RVQNSVMHSCADNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-19-16-12-14(21-9-7-20-8-10-21)5-6-17(16)24(22,23)15-4-2-3-13(18)11-15/h2-6,11-12,19-20H,7-10H2,1H3.
What are the key properties of 2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline?
2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline has a molecular weight of 349.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfonyl-N-methyl-5-piperazin-1-ylaniline is sourced from PubChem (CID 18508958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).