2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate

C14H19NO4S — CID 103715072

IUPAC2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate
SMILESCc1cc(C)c(S(N)(=O)=O)cc1C(=O)OCCC1CC1
InChIInChI=1S/C14H19NO4S/c1-9-7-10(2)13(20(15,17)18)8-12(9)14(16)19-6-5-11-3-4-11/h7-8,11H,3-6H2,1-2H3,(H2,15,17,18)
InChIKeyMDNCJGXKZRQBIJ-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.91
Rot. Bonds5

About 2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate

2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate (PubChem CID 103715072) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate.

Molecular Properties

Compound Name2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate
PubChem CID103715072
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate
SMILESCc1cc(C)c(S(N)(=O)=O)cc1C(=O)OCCC1CC1
InChIInChI=1S/C14H19NO4S/c1-9-7-10(2)13(20(15,17)18)8-12(9)14(16)19-6-5-11-3-4-11/h7-8,11H,3-6H2,1-2H3,(H2,15,17,18)
InChIKeyMDNCJGXKZRQBIJ-UHFFFAOYSA-N
XLogP1.91
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate
CID 103714805
2-cyclopropylethyl 5-chlorosulfonyl-2-fluoro-4-methylbenzoate
CID 106206911
2-cyclobutylethyl 5-chloro-2-methyl-3-sulfamoylbenzoate
CID 106207164
2-cyclopropylethyl 2-bromo-5-fluoro-3-sulfamoylbenzoate
CID 103715086
2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate
CID 106207062
2-cyclopropylethyl 2-bromo-5-sulfamoylbenzoate
CID 103714125
pentan-2-yl 2,4-dimethyl-5-sulfamoylbenzoate
CID 103724570
2-cyclopropylethyl 2-fluoro-5-sulfamoylbenzoate
CID 113246509
2-cyclopropylethyl 2-bromo-5-chlorosulfonyl-4-fluorobenzoate
CID 106206963
2-cyclobutylethyl 3-bromo-2-methyl-5-sulfamoylbenzoate
CID 106207109
2-cyclopropylethyl 5-bromo-3-chlorosulfonyl-2-methylbenzoate
CID 106206967
4-(2-cyclohexylethoxycarbonyl)-2-methylbenzenesulfonic acid
CID 89364831

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate?
The IUPAC name of 2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate (CID 103715072) is 2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate.
What is the SMILES notation for 2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate?
The canonical SMILES for 2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate is Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate?
The InChIKey is MDNCJGXKZRQBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-9-7-10(2)13(20(15,17)18)8-12(9)14(16)19-6-5-11-3-4-11/h7-8,11H,3-6H2,1-2H3,(H2,15,17,18).
What are the key properties of 2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate?
2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate has a molecular weight of 297.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate is sourced from PubChem (CID 103715072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).