methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride

C18H22Cl2N2O4S — CID 120895713

IUPACmethyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride
SMILESCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(CCN)CCc2ccccc2)c1.Cl
InChIInChI=1S/C18H21ClN2O4S.ClH/c1-25-18(22)15-11-16(19)13-17(12-15)26(23,24)21(10-8-20)9-7-14-5-3-2-4-6-14;/h2-6,11-13H,7-10,20H2,1H3;1H
InChIKeyYDYIYSUUAGQYEA-UHFFFAOYSA-N
MW433.36 g/mol
LogP2.74
Rot. Bonds8

About methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride

methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride (PubChem CID 120895713) has the molecular formula C18H22Cl2N2O4S and a molecular weight of 433.36 g/mol. Its IUPAC name is methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride
PubChem CID120895713
Molecular FormulaC18H22Cl2N2O4S
Molecular Weight433.36 g/mol
Exact Mass432.07
IUPAC Namemethyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride
SMILESCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(CCN)CCc2ccccc2)c1.Cl
InChIInChI=1S/C18H21ClN2O4S.ClH/c1-25-18(22)15-11-16(19)13-17(12-15)26(23,24)21(10-8-20)9-7-14-5-3-2-4-6-14;/h2-6,11-13H,7-10,20H2,1H3;1H
InChIKeyYDYIYSUUAGQYEA-UHFFFAOYSA-N
XLogP2.74
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4,5-dimethylbenzoate
CID 120895879
methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]pyridine-2-carboxylate
CID 120895258
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895597
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4-fluorobenzoate;hydrochloride
CID 120895886
N-(2-aminoethyl)-4-(methoxymethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895906
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-4-fluorobenzoate
CID 120895887
methyl 2-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-fluorobenzoate
CID 120895566
methyl 5-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1,3-thiazole-4-carboxylate
CID 120877148
N-(2-aminoethyl)-4-(dimethylamino)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895835
ethyl 4-[2-aminoethyl(2-phenylethyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 120895490
3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide
CID 120895786
N-(2-aminoethyl)-4-(methylsulfonylmethyl)-N-(2-phenylethyl)benzenesulfonamide;hydrochloride
CID 120895305

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride?
The IUPAC name of methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride (CID 120895713) is methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride.
What is the SMILES notation for methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride?
The canonical SMILES for methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride is COC(=O)c1cc(Cl)cc(S(=O)(=O)N(CCN)CCc2ccccc2)c1.Cl.
What is the InChIKey of methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride?
The InChIKey is YDYIYSUUAGQYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S.ClH/c1-25-18(22)15-11-16(19)13-17(12-15)26(23,24)21(10-8-20)9-7-14-5-3-2-4-6-14;/h2-6,11-13H,7-10,20H2,1H3;1H.
What are the key properties of methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride?
methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride has a molecular weight of 433.36 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-5-chlorobenzoate;hydrochloride is sourced from PubChem (CID 120895713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).