ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate

C14H22N2O4S — CID 65192667

IUPACethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate
SMILESCCCC(CN)NS(=O)(=O)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C14H22N2O4S/c1-3-5-12(10-15)16-21(18,19)13-8-6-11(7-9-13)14(17)20-4-2/h6-9,12,16H,3-5,10,15H2,1-2H3
InChIKeyAOEANOJWKBTACW-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.27
Rot. Bonds8

About ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate

ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate (PubChem CID 65192667) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate
PubChem CID65192667
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Nameethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate
SMILESCCCC(CN)NS(=O)(=O)c1ccc(C(=O)OCC)cc1
InChIInChI=1S/C14H22N2O4S/c1-3-5-12(10-15)16-21(18,19)13-8-6-11(7-9-13)14(17)20-4-2/h6-9,12,16H,3-5,10,15H2,1-2H3
InChIKeyAOEANOJWKBTACW-UHFFFAOYSA-N
XLogP1.27
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 4-(hydrazinesulfonyl)benzoate
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(2S,3S)-2-[(4-ethoxycarbonylphenyl)sulfonylamino]-3-methylpentanoic acid
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4-(1-aminohexan-2-ylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120712524
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
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ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
5-(1-aminopentan-2-ylsulfamoyl)-2-methoxybenzamide
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diethyl 2-[(4-acetylphenyl)sulfonylamino]propanedioate
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CID 110453940

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate?
The IUPAC name of ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate (CID 65192667) is ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate.
What is the SMILES notation for ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate?
The canonical SMILES for ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate is CCCC(CN)NS(=O)(=O)c1ccc(C(=O)OCC)cc1.
What is the InChIKey of ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate?
The InChIKey is AOEANOJWKBTACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-3-5-12(10-15)16-21(18,19)13-8-6-11(7-9-13)14(17)20-4-2/h6-9,12,16H,3-5,10,15H2,1-2H3.
What are the key properties of ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate?
ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate has a molecular weight of 314.41 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-aminopentan-2-ylsulfamoyl)benzoate is sourced from PubChem (CID 65192667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).