[2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine

C12H18FN3O2S — CID 28716722

IUPAC[2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
SMILESCN1CCN(S(=O)(=O)c2ccc(F)c(CN)c2)CC1
InChIInChI=1S/C12H18FN3O2S/c1-15-4-6-16(7-5-15)19(17,18)11-2-3-12(13)10(8-11)9-14/h2-3,8H,4-7,9,14H2,1H3
InChIKeyBFIYCMWCEPXYCH-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.22
Rot. Bonds3

About [2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine

[2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine (PubChem CID 28716722) has the molecular formula C12H18FN3O2S and a molecular weight of 287.36 g/mol. Its IUPAC name is [2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
PubChem CID28716722
Molecular FormulaC12H18FN3O2S
Molecular Weight287.36 g/mol
Exact Mass287.11
IUPAC Name[2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine
SMILESCN1CCN(S(=O)(=O)c2ccc(F)c(CN)c2)CC1
InChIInChI=1S/C12H18FN3O2S/c1-15-4-6-16(7-5-15)19(17,18)11-2-3-12(13)10(8-11)9-14/h2-3,8H,4-7,9,14H2,1H3
InChIKeyBFIYCMWCEPXYCH-UHFFFAOYSA-N
XLogP0.22
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperazin-1-yl]ethanol
CID 63288121
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanamine
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[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
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1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-fluorophenyl]methanamine
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1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpyrrolidin-3-ol
CID 63288683
[2-fluoro-5-(2-methylmorpholin-4-yl)sulfonylphenyl]methanamine
CID 55171349
2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid
CID 22012947
2-fluoro-4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]aniline
CID 82843705
[2-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 114592907
2-[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-3-yl]ethanol
CID 107227335
1-(4-bromo-3-fluorophenyl)sulfonyl-4-methyl-1,4-diazepane
CID 113349608

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine (CID 28716722) is [2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine is CN1CCN(S(=O)(=O)c2ccc(F)c(CN)c2)CC1.
What is the InChIKey of [2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is BFIYCMWCEPXYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2S/c1-15-4-6-16(7-5-15)19(17,18)11-2-3-12(13)10(8-11)9-14/h2-3,8H,4-7,9,14H2,1H3.
What are the key properties of [2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine?
[2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 287.36 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(4-methylpiperazin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 28716722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).