methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate

C12H17ClN2O4S — CID 119972795

IUPACmethyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCC(C)N
InChIInChI=1S/C12H17ClN2O4S/c1-8(14)5-6-15-20(17,18)11-7-9(13)3-4-10(11)12(16)19-2/h3-4,7-8,15H,5-6,14H2,1-2H3
InChIKeyHPAMEFZGNLGGLA-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.14
Rot. Bonds6

About methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate

methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate (PubChem CID 119972795) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate.

Molecular Properties

Compound Namemethyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate
PubChem CID119972795
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Namemethyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate
SMILESCOC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCC(C)N
InChIInChI=1S/C12H17ClN2O4S/c1-8(14)5-6-15-20(17,18)11-7-9(13)3-4-10(11)12(16)19-2/h3-4,7-8,15H,5-6,14H2,1-2H3
InChIKeyHPAMEFZGNLGGLA-UHFFFAOYSA-N
XLogP1.14
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 4-amino-2-(2-sulfamoylethylsulfamoyl)benzoate
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methyl 4-chloro-2-(2-piperidin-3-ylethylsulfamoyl)benzoate
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methyl 4-amino-2-[(4-amino-4-oxobutyl)sulfamoyl]benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate?
The IUPAC name of methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate (CID 119972795) is methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate.
What is the SMILES notation for methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate?
The canonical SMILES for methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate is COC(=O)c1ccc(Cl)cc1S(=O)(=O)NCCC(C)N.
What is the InChIKey of methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate?
The InChIKey is HPAMEFZGNLGGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-8(14)5-6-15-20(17,18)11-7-9(13)3-4-10(11)12(16)19-2/h3-4,7-8,15H,5-6,14H2,1-2H3.
What are the key properties of methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate?
methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate has a molecular weight of 320.80 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminobutylsulfamoyl)-4-chlorobenzoate is sourced from PubChem (CID 119972795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).