methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate

C14H18N2O4S — CID 102931502

IUPACmethyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate
SMILESC=CCN(C1CC1)S(=O)(=O)c1cc(N)ccc1C(=O)OC
InChIInChI=1S/C14H18N2O4S/c1-3-8-16(11-5-6-11)21(18,19)13-9-10(15)4-7-12(13)14(17)20-2/h3-4,7,9,11H,1,5-6,8,15H2,2H3
InChIKeyGDGJSLWTSDNTNP-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.39
Rot. Bonds6

About methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate

methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate (PubChem CID 102931502) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate
PubChem CID102931502
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Namemethyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate
SMILESC=CCN(C1CC1)S(=O)(=O)c1cc(N)ccc1C(=O)OC
InChIInChI=1S/C14H18N2O4S/c1-3-8-16(11-5-6-11)21(18,19)13-9-10(15)4-7-12(13)14(17)20-2/h3-4,7,9,11H,1,5-6,8,15H2,2H3
InChIKeyGDGJSLWTSDNTNP-UHFFFAOYSA-N
XLogP1.39
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-2-[methyl(pent-4-enyl)sulfamoyl]benzoate
CID 102931695
methyl 4-amino-2-[cyclobutylmethyl(methyl)sulfamoyl]benzoate
CID 102931206
methyl 4-amino-2-[(2-hydroxy-2-methylpropyl)-methylsulfamoyl]benzoate
CID 102931370
methyl 4-amino-2-[butan-2-yl(methyl)sulfamoyl]benzoate
CID 102930902
4-[cyclopropyl(prop-2-enyl)sulfamoyl]-2-methoxybenzoic acid
CID 146134236
methyl 4-amino-2-[methyl(pentan-2-yl)sulfamoyl]benzoate
CID 102930981
4-amino-2-[ethyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 102931496
methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate
CID 113230618
methyl 4-amino-2-[(2-cyclopropyl-2-hydroxyethyl)sulfamoyl]benzoate
CID 102931236
methyl 4-amino-2-(2-hydroxyethylsulfamoyl)benzoate
CID 102930876
methyl 4-amino-2-(2-methylpropylsulfamoyl)benzoate
CID 102930746
2-[cyclopentyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 60950243

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate?
The IUPAC name of methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate (CID 102931502) is methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate is C=CCN(C1CC1)S(=O)(=O)c1cc(N)ccc1C(=O)OC.
What is the InChIKey of methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate?
The InChIKey is GDGJSLWTSDNTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-3-8-16(11-5-6-11)21(18,19)13-9-10(15)4-7-12(13)14(17)20-2/h3-4,7,9,11H,1,5-6,8,15H2,2H3.
What are the key properties of methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate?
methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate has a molecular weight of 310.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-[cyclopropyl(prop-2-enyl)sulfamoyl]benzoate is sourced from PubChem (CID 102931502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).