methyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate

C17H21NO6S — CID 11603075

IUPACmethyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate
SMILESCCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C17H21NO6S/c1-3-24-17(20)13-9-5-7-11-15(13)25(21,22)18-14-10-6-4-8-12(14)16(19)23-2/h4,6,8-10,15,18H,3,5,7,11H2,1-2H3
InChIKeyMINVEOHGGRGCFT-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.26
Rot. Bonds6

About methyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate

methyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate (PubChem CID 11603075) has the molecular formula C17H21NO6S and a molecular weight of 367.42 g/mol. Its IUPAC name is methyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate
PubChem CID11603075
Molecular FormulaC17H21NO6S
Molecular Weight367.42 g/mol
Exact Mass367.11
IUPAC Namemethyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate
SMILESCCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C17H21NO6S/c1-3-24-17(20)13-9-5-7-11-15(13)25(21,22)18-14-10-6-4-8-12(14)16(19)23-2/h4,6,8-10,15,18H,3,5,7,11H2,1-2H3
InChIKeyMINVEOHGGRGCFT-UHFFFAOYSA-N
XLogP2.26
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl Anthranilate
CID 8635
Linalyl anthranilate
CID 23535
Cinnamyl Anthranilate
CID 5284369
Ethyl 2-aminobenzoate
CID 6877
Butyl anthranilate
CID 24433
Phenethyl anthranilate
CID 8615
Tricaine Methanesulfonate
CID 261501
Allyl anthranilate
CID 24116
Isobutyl anthranilate
CID 24515
Cyclohexyl anthranilate
CID 24510
Citronellyl anthranilate
CID 109467
3-Hexenyl anthranilate, (3Z)-
CID 5372353

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate?
The IUPAC name of methyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate (CID 11603075) is methyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate?
The canonical SMILES for methyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate is CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate?
The InChIKey is MINVEOHGGRGCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6S/c1-3-24-17(20)13-9-5-7-11-15(13)25(21,22)18-14-10-6-4-8-12(14)16(19)23-2/h4,6,8-10,15,18H,3,5,7,11H2,1-2H3.
What are the key properties of methyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate?
methyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate has a molecular weight of 367.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethoxycarbonylcyclohex-2-en-1-yl)sulfonylamino]benzoate is sourced from PubChem (CID 11603075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).