N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide

C13H19ClFN3O2S — CID 106087941

IUPACN-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H19ClFN3O2S/c1-16-9-13-4-2-3-5-18(13)21(19,20)17-12-7-10(14)6-11(15)8-12/h6-8,13,16-17H,2-5,9H2,1H3
InChIKeyKVSNVIMVCRQTCH-UHFFFAOYSA-N
MW335.83 g/mol
LogP2.21
Rot. Bonds5

About N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide

N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide (PubChem CID 106087941) has the molecular formula C13H19ClFN3O2S and a molecular weight of 335.83 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
PubChem CID106087941
Molecular FormulaC13H19ClFN3O2S
Molecular Weight335.83 g/mol
Exact Mass335.09
IUPAC NameN-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
SMILESCNCC1CCCCN1S(=O)(=O)Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H19ClFN3O2S/c1-16-9-13-4-2-3-5-18(13)21(19,20)17-12-7-10(14)6-11(15)8-12/h6-8,13,16-17H,2-5,9H2,1H3
InChIKeyKVSNVIMVCRQTCH-UHFFFAOYSA-N
XLogP2.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluoro-5-methylphenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070512
N-(3-bromo-4-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070944
N-methyl-1-[1-(2,4,6-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 63249919
N-(4-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106030566
N-(5-bromo-2-chlorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide
CID 106056721
1-[1-[(3,5-dichlorophenyl)methylsulfonyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 119990947
N-methyl-1-[1-(2,4,6-trichlorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115316522
2-(methylaminomethyl)-N-piperidin-1-ylpiperidine-1-sulfonamide
CID 106075380
N-(3-fluoro-5-methylphenyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106070511
2-(aminomethyl)-N-(2,3,5-trifluorophenyl)piperidine-1-sulfonamide
CID 106056268
1-[1-[2-(4-chlorophenyl)ethenylsulfonyl]piperidin-2-yl]-N-methylmethanamine
CID 76990864
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide (CID 106087941) is N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide is CNCC1CCCCN1S(=O)(=O)Nc1cc(F)cc(Cl)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
The InChIKey is KVSNVIMVCRQTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFN3O2S/c1-16-9-13-4-2-3-5-18(13)21(19,20)17-12-7-10(14)6-11(15)8-12/h6-8,13,16-17H,2-5,9H2,1H3.
What are the key properties of N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide?
N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide has a molecular weight of 335.83 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-2-(methylaminomethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106087941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).