methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride

C16H25ClN2O4S — CID 120585033

IUPACmethyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(CN)C2CCCC2)c(C)c1.Cl
InChIInChI=1S/C16H24N2O4S.ClH/c1-11-9-13(16(19)22-2)7-8-15(11)23(20,21)18-14(10-17)12-5-3-4-6-12;/h7-9,12,14,18H,3-6,10,17H2,1-2H3;1H
InChIKeyNDYIOSWCHAIOGZ-UHFFFAOYSA-N
MW376.91 g/mol
LogP2.00
Rot. Bonds6

About methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride

methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride (PubChem CID 120585033) has the molecular formula C16H25ClN2O4S and a molecular weight of 376.91 g/mol. Its IUPAC name is methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride
PubChem CID120585033
Molecular FormulaC16H25ClN2O4S
Molecular Weight376.91 g/mol
Exact Mass376.12
IUPAC Namemethyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(CN)C2CCCC2)c(C)c1.Cl
InChIInChI=1S/C16H24N2O4S.ClH/c1-11-9-13(16(19)22-2)7-8-15(11)23(20,21)18-14(10-17)12-5-3-4-6-12;/h7-9,12,14,18H,3-6,10,17H2,1-2H3;1H
InChIKeyNDYIOSWCHAIOGZ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-4-methylbenzoate
CID 120584848
methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate;hydrochloride
CID 120585325
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119986703
ethyl 4-[(2-amino-1-cyclopropylethyl)sulfamoyl]-3-bromobenzoate
CID 119987029
methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate
CID 120585227
methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride
CID 119983872
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 119986704
N-(2-amino-1-cyclohexylethyl)-2-methyl-4-nitrobenzenesulfonamide;hydrochloride
CID 119983831
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]benzamide
CID 106737961
N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 106737938
4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-N,N-dimethylbenzamide;hydrochloride
CID 120713646
N-[5-[(2-amino-1-cyclohexylethyl)sulfamoyl]-2-methylphenyl]acetamide;hydrochloride
CID 119983696

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride?
The IUPAC name of methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride (CID 120585033) is methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride.
What is the SMILES notation for methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride?
The canonical SMILES for methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride is COC(=O)c1ccc(S(=O)(=O)NC(CN)C2CCCC2)c(C)c1.Cl.
What is the InChIKey of methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride?
The InChIKey is NDYIOSWCHAIOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S.ClH/c1-11-9-13(16(19)22-2)7-8-15(11)23(20,21)18-14(10-17)12-5-3-4-6-12;/h7-9,12,14,18H,3-6,10,17H2,1-2H3;1H.
What are the key properties of methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride?
methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride has a molecular weight of 376.91 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-amino-1-cyclopentylethyl)sulfamoyl]-3-methylbenzoate;hydrochloride is sourced from PubChem (CID 120585033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).