N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide

C10H15FN2O4S2 — CID 82840107

IUPACN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCc1ccc(CN)cc1F
InChIInChI=1S/C10H15FN2O4S2/c1-18(14,15)7-19(16,17)13-6-9-3-2-8(5-12)4-10(9)11/h2-4,13H,5-7,12H2,1H3
InChIKeyCJSWNCANQUKMQF-UHFFFAOYSA-N
MW310.37 g/mol
LogP-0.29
Rot. Bonds6

About N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide (PubChem CID 82840107) has the molecular formula C10H15FN2O4S2 and a molecular weight of 310.37 g/mol. Its IUPAC name is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide
PubChem CID82840107
Molecular FormulaC10H15FN2O4S2
Molecular Weight310.37 g/mol
Exact Mass310.05
IUPAC NameN-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide
SMILESCS(=O)(=O)CS(=O)(=O)NCc1ccc(CN)cc1F
InChIInChI=1S/C10H15FN2O4S2/c1-18(14,15)7-19(16,17)13-6-9-3-2-8(5-12)4-10(9)11/h2-4,13H,5-7,12H2,1H3
InChIKeyCJSWNCANQUKMQF-UHFFFAOYSA-N
XLogP-0.29
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-3-methoxypropane-1-sulfonamide
CID 63359491
[3-fluoro-4-(methylsulfonylmethyl)phenyl]methanamine
CID 64696823
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 63359408
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-4-methylbenzenesulfonamide
CID 63359101
ethyl N-[[4-(aminomethyl)-2-fluorophenyl]methylsulfamoyl]carbamate
CID 114461411
[3-fluoro-4-(2-methylsulfonylethylsulfanylmethyl)phenyl]methanamine
CID 63659581
[4-(tert-butylsulfonylmethyl)-3-fluorophenyl]methanamine
CID 64696756
N-[(2-aminophenyl)methyl]-1-methylsulfonylmethanesulfonamide
CID 82840479
1-amino-N-[4-(aminomethyl)-2-fluorophenyl]methanesulfonamide
CID 67318256
5-(aminomethyl)-N-[(2-fluorophenyl)methyl]-2-methylbenzenesulfonamide
CID 28717278
5-(aminomethyl)-2-fluoro-N-[(2-fluorophenyl)methyl]benzenesulfonamide
CID 28716292
[3-fluoro-4-[(4-methylsulfonylpyrazol-1-yl)methyl]phenyl]methanamine
CID 165481482

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide (CID 82840107) is N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide is CS(=O)(=O)CS(=O)(=O)NCc1ccc(CN)cc1F.
What is the InChIKey of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is CJSWNCANQUKMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O4S2/c1-18(14,15)7-19(16,17)13-6-9-3-2-8(5-12)4-10(9)11/h2-4,13H,5-7,12H2,1H3.
What are the key properties of N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide?
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 310.37 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 82840107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).