methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride

C15H23ClN2O4S — CID 119958825

IUPACmethyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C15H22N2O4S.ClH/c1-21-14(18)12-5-7-13(8-6-12)22(19,20)17-11-15(16)9-3-2-4-10-15;/h5-8,17H,2-4,9-11,16H2,1H3;1H
InChIKeyOVMKOAXMFREMNP-UHFFFAOYSA-N
MW362.88 g/mol
LogP1.83
Rot. Bonds5

About methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride

methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride (PubChem CID 119958825) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride
PubChem CID119958825
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC Namemethyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C15H22N2O4S.ClH/c1-21-14(18)12-5-7-13(8-6-12)22(19,20)17-11-15(16)9-3-2-4-10-15;/h5-8,17H,2-4,9-11,16H2,1H3;1H
InChIKeyOVMKOAXMFREMNP-UHFFFAOYSA-N
XLogP1.83
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate
CID 65112879
N-[(1-aminocyclohexyl)methyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71757234
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]-2-chlorobenzoate
CID 119043375
N-[(1-aminocyclohexyl)methyl]-4-fluorobenzenesulfonamide;hydrochloride
CID 119958872
N-[(1-aminocyclohexyl)methyl]-4-propoxybenzenesulfonamide;hydrochloride
CID 119958914
5-[(1-aminocyclohexyl)methylsulfamoyl]-2-methoxybenzamide
CID 119958906
N-[(1-aminocyclohexyl)methyl]-4-propylbenzenesulfonamide
CID 43598214
methyl 4-[[(3S)-3-methoxythiolan-3-yl]methylsulfamoyl]benzoate
CID 97414750
N-[(1-aminocyclohexyl)methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 119958876
N-[(1-aminocycloheptyl)methyl]-3,4-dimethylbenzenesulfonamide
CID 43598256
N-[(1-aminocyclohexyl)methyl]-4-cyanobenzenesulfonamide
CID 43598191
methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride?
The IUPAC name of methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride (CID 119958825) is methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride?
The canonical SMILES for methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride is COC(=O)c1ccc(S(=O)(=O)NCC2(N)CCCCC2)cc1.Cl.
What is the InChIKey of methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride?
The InChIKey is OVMKOAXMFREMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S.ClH/c1-21-14(18)12-5-7-13(8-6-12)22(19,20)17-11-15(16)9-3-2-4-10-15;/h5-8,17H,2-4,9-11,16H2,1H3;1H.
What are the key properties of methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride?
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride has a molecular weight of 362.88 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 119958825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).