2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate

C14H19NO4S — CID 103714875

IUPAC2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate
SMILESNS(=O)(=O)c1ccc(CCC(=O)OCCC2CC2)cc1
InChIInChI=1S/C14H19NO4S/c15-20(17,18)13-6-3-11(4-7-13)5-8-14(16)19-10-9-12-1-2-12/h3-4,6-7,12H,1-2,5,8-10H2,(H2,15,17,18)
InChIKeyPSDTUHUYTNVKQD-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.61
Rot. Bonds7

About 2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate

2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate (PubChem CID 103714875) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate.

Molecular Properties

Compound Name2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate
PubChem CID103714875
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate
SMILESNS(=O)(=O)c1ccc(CCC(=O)OCCC2CC2)cc1
InChIInChI=1S/C14H19NO4S/c15-20(17,18)13-6-3-11(4-7-13)5-8-14(16)19-10-9-12-1-2-12/h3-4,6-7,12H,1-2,5,8-10H2,(H2,15,17,18)
InChIKeyPSDTUHUYTNVKQD-UHFFFAOYSA-N
XLogP1.61
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 3-(4-sulfamoylphenyl)propanoate
CID 35588023
cyclopentylmethyl 3-(4-chlorosulfonylphenyl)propanoate
CID 66323165
2-methylpentyl 3-(4-sulfamoylphenyl)propanoate
CID 103286166
2-cyclopropylethyl 2-bromo-5-sulfamoylbenzoate
CID 103714125
1-(cyclopropylmethyl)-2-methyl-3-[2-(4-sulfamoylphenyl)ethyl]guanidine
CID 111868204
2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate
CID 103714805
2-cyclopropylethyl 2-fluoro-5-sulfamoylbenzoate
CID 113246509
4-(4-sulfamoylphenyl)butanamide
CID 145476026
3-cyclohexyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 2431253
2-[carboxymethyl-[2-oxo-2-[2-(4-sulfamoylphenyl)ethoxy]ethyl]amino]acetic acid
CID 10872446
4-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-3-oxopentyl]benzenesulfonamide
CID 162202793
ethyl 3-(4-ethylsulfonylphenyl)propanoate
CID 71283935

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate?
The IUPAC name of 2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate (CID 103714875) is 2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate.
What is the SMILES notation for 2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate?
The canonical SMILES for 2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate is NS(=O)(=O)c1ccc(CCC(=O)OCCC2CC2)cc1.
What is the InChIKey of 2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate?
The InChIKey is PSDTUHUYTNVKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c15-20(17,18)13-6-3-11(4-7-13)5-8-14(16)19-10-9-12-1-2-12/h3-4,6-7,12H,1-2,5,8-10H2,(H2,15,17,18).
What are the key properties of 2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate?
2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate has a molecular weight of 297.38 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 3-(4-sulfamoylphenyl)propanoate is sourced from PubChem (CID 103714875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).