methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate

C15H21FN2O4S — CID 119986529

IUPACmethyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate
SMILESCOC(=O)c1c(F)cccc1S(=O)(=O)NC1CCCCC1CN
InChIInChI=1S/C15H21FN2O4S/c1-22-15(19)14-11(16)6-4-8-13(14)23(20,21)18-12-7-3-2-5-10(12)9-17/h4,6,8,10,12,18H,2-3,5,7,9,17H2,1H3
InChIKeyQHJVVGQNAJXVIY-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.41
Rot. Bonds5

About methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate

methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate (PubChem CID 119986529) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate
PubChem CID119986529
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Namemethyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate
SMILESCOC(=O)c1c(F)cccc1S(=O)(=O)NC1CCCCC1CN
InChIInChI=1S/C15H21FN2O4S/c1-22-15(19)14-11(16)6-4-8-13(14)23(20,21)18-12-7-3-2-5-10(12)9-17/h4,6,8,10,12,18H,2-3,5,7,9,17H2,1H3
InChIKeyQHJVVGQNAJXVIY-UHFFFAOYSA-N
XLogP1.41
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide
CID 94903895
N-[2-(aminomethyl)cyclopentyl]-2-fluorobenzenesulfonamide;hydrochloride
CID 119985644
N-[2-(aminomethyl)cyclohexyl]-2-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 120711198
methyl 2-fluoro-6-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate;hydrochloride
CID 120724853
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607488
N-[(1S,2S)-2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzenesulfonamide
CID 124607491
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
dimethyl 5-[[2-(aminomethyl)cyclohexyl]sulfamoyl]benzene-1,3-dicarboxylate;hydrochloride
CID 119986267
methyl 2-fluoro-6-(pyrrolidin-3-ylsulfamoyl)benzoate;hydrochloride
CID 119967312
N-[2-(aminomethyl)cyclohexyl]naphthalene-1-sulfonamide;hydrochloride
CID 119986179
methyl 2-[3-(aminomethyl)pyrrolidin-1-yl]sulfonyl-6-fluorobenzoate
CID 119972305
methyl 4-[[2-(aminomethyl)cyclopentyl]sulfamoyl]-3-methoxybenzoate
CID 120711044

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate?
The IUPAC name of methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate (CID 119986529) is methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate.
What is the SMILES notation for methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate?
The canonical SMILES for methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate is COC(=O)c1c(F)cccc1S(=O)(=O)NC1CCCCC1CN.
What is the InChIKey of methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate?
The InChIKey is QHJVVGQNAJXVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c1-22-15(19)14-11(16)6-4-8-13(14)23(20,21)18-12-7-3-2-5-10(12)9-17/h4,6,8,10,12,18H,2-3,5,7,9,17H2,1H3.
What are the key properties of methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate?
methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate has a molecular weight of 344.41 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-6-fluorobenzoate is sourced from PubChem (CID 119986529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).