methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride

C13H19ClN2O4S — CID 120582816

IUPACmethyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC(N)C2CC2)cc1.Cl
InChIInChI=1S/C13H18N2O4S.ClH/c1-19-13(16)10-4-6-11(7-5-10)20(17,18)15-8-12(14)9-2-3-9;/h4-7,9,12,15H,2-3,8,14H2,1H3;1H
InChIKeyHNRGRCDZZLESAW-UHFFFAOYSA-N
MW334.83 g/mol
LogP0.91
Rot. Bonds6

About methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride

methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride (PubChem CID 120582816) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
PubChem CID120582816
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Namemethyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
SMILESCOC(=O)c1ccc(S(=O)(=O)NCC(N)C2CC2)cc1.Cl
InChIInChI=1S/C13H18N2O4S.ClH/c1-19-13(16)10-4-6-11(7-5-10)20(17,18)15-8-12(14)9-2-3-9;/h4-7,9,12,15H,2-3,8,14H2,1H3;1H
InChIKeyHNRGRCDZZLESAW-UHFFFAOYSA-N
XLogP0.91
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride
CID 120582901
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900
methyl 4-(dicyclopropylmethylsulfamoyl)benzoate
CID 31847332
methyl 2-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582633
N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide
CID 120582635
N-(2-amino-2-cyclopropylethyl)-4-butan-2-ylbenzenesulfonamide
CID 115301404
N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115301370
N-[(2S)-2-amino-2-cyclopropylethyl]-4-nitrobenzenesulfonamide
CID 99625428
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120713313
methyl 4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]benzoate
CID 115302902
N-[[5-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-methoxyphenyl]methyl]propanamide
CID 120582674
methyl 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzoate
CID 103834428

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride?
The IUPAC name of methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride (CID 120582816) is methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride.
What is the SMILES notation for methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride?
The canonical SMILES for methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride is COC(=O)c1ccc(S(=O)(=O)NCC(N)C2CC2)cc1.Cl.
What is the InChIKey of methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride?
The InChIKey is HNRGRCDZZLESAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S.ClH/c1-19-13(16)10-4-6-11(7-5-10)20(17,18)15-8-12(14)9-2-3-9;/h4-7,9,12,15H,2-3,8,14H2,1H3;1H.
What are the key properties of methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride?
methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride has a molecular weight of 334.83 g/mol, XLogP of 0.91, 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-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride is sourced from PubChem (CID 120582816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).