[2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine

C13H18ClFN2O2S — CID 81457801

IUPAC[2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCC1CCN(S(=O)(=O)c2cc(F)c(Cl)c(CN)c2)CC1
InChIInChI=1S/C13H18ClFN2O2S/c1-9-2-4-17(5-3-9)20(18,19)11-6-10(8-16)13(14)12(15)7-11/h6-7,9H,2-5,8,16H2,1H3
InChIKeyCMFULXWZALTTEZ-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.36
Rot. Bonds3

About [2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine

[2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine (PubChem CID 81457801) has the molecular formula C13H18ClFN2O2S and a molecular weight of 320.82 g/mol. Its IUPAC name is [2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
PubChem CID81457801
Molecular FormulaC13H18ClFN2O2S
Molecular Weight320.82 g/mol
Exact Mass320.08
IUPAC Name[2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCC1CCN(S(=O)(=O)c2cc(F)c(Cl)c(CN)c2)CC1
InChIInChI=1S/C13H18ClFN2O2S/c1-9-2-4-17(5-3-9)20(18,19)11-6-10(8-16)13(14)12(15)7-11/h6-7,9H,2-5,8,16H2,1H3
InChIKeyCMFULXWZALTTEZ-UHFFFAOYSA-N
XLogP2.36
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-chloro-3-fluoro-5-(3-methoxypyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 103541465
[2-chloro-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-3-fluorophenyl]methanamine
CID 104969252
[2-chloro-5-(2,6-dimethylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
CID 81450845
1-[2-chloro-3-fluoro-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]-N-methylmethanamine
CID 81457130
[2-chloro-3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonylphenyl]methanamine
CID 102971844
[2-fluoro-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
CID 63623393
[2-fluoro-3-methyl-5-(4-methylazepan-1-yl)sulfonylphenyl]methanamine
CID 81428280
[2-chloro-5-(2-ethylpyrrolidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
CID 81458233
[2-chloro-3-fluoro-5-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 81452524
[2-fluoro-3-methyl-5-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 81435857
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
3-(aminomethyl)-4-chloro-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 106025568

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine (CID 81457801) is [2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine is CC1CCN(S(=O)(=O)c2cc(F)c(Cl)c(CN)c2)CC1.
What is the InChIKey of [2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is CMFULXWZALTTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O2S/c1-9-2-4-17(5-3-9)20(18,19)11-6-10(8-16)13(14)12(15)7-11/h6-7,9H,2-5,8,16H2,1H3.
What are the key properties of [2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
[2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 320.82 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-fluoro-5-(4-methylpiperidin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 81457801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).