methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride

C16H25ClN2O4S — CID 119983872

IUPACmethyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C16H24N2O4S.ClH/c1-22-16(19)13-9-5-6-10-15(13)23(20,21)18-14(11-17)12-7-3-2-4-8-12;/h5-6,9-10,12,14,18H,2-4,7-8,11,17H2,1H3;1H
InChIKeyORBUGWJAXQHZBX-UHFFFAOYSA-N
MW376.91 g/mol
LogP2.08
Rot. Bonds6

About methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride

methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride (PubChem CID 119983872) has the molecular formula C16H25ClN2O4S and a molecular weight of 376.91 g/mol. Its IUPAC name is methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride
PubChem CID119983872
Molecular FormulaC16H25ClN2O4S
Molecular Weight376.91 g/mol
Exact Mass376.12
IUPAC Namemethyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C16H24N2O4S.ClH/c1-22-16(19)13-9-5-6-10-15(13)23(20,21)18-14(11-17)12-7-3-2-4-8-12;/h5-6,9-10,12,14,18H,2-4,7-8,11,17H2,1H3;1H
InChIKeyORBUGWJAXQHZBX-UHFFFAOYSA-N
XLogP2.08
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.91
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride with MolForge

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Related Compounds

methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate
CID 120585227
methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920549
methyl 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920550
methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride
CID 120585033
methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate;hydrochloride
CID 120585325
methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-4-methylbenzoate
CID 120584848
methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate
CID 115309539
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582633
N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
CID 106737809
N-(2-amino-1-cyclopentylethyl)-2-bromo-3-methylbenzenesulfonamide;hydrochloride
CID 120585153
N-(2-amino-1-cyclohexylethyl)-2,5-difluorobenzenesulfonamide;hydrochloride
CID 119983602

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride?
The IUPAC name of methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride (CID 119983872) is methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride?
The canonical SMILES for methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride is COC(=O)c1ccccc1S(=O)(=O)NC(CN)C1CCCCC1.Cl.
What is the InChIKey of methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride?
The InChIKey is ORBUGWJAXQHZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S.ClH/c1-22-16(19)13-9-5-6-10-15(13)23(20,21)18-14(11-17)12-7-3-2-4-8-12;/h5-6,9-10,12,14,18H,2-4,7-8,11,17H2,1H3;1H.
What are the key properties of methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride?
methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride has a molecular weight of 376.91 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 119983872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).