2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate

C14H19NO5S — CID 106207062

IUPAC2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate
SMILESCCOc1ccc(C(=O)OCCC2CC2)cc1S(N)(=O)=O
InChIInChI=1S/C14H19NO5S/c1-2-19-12-6-5-11(9-13(12)21(15,17)18)14(16)20-8-7-10-3-4-10/h5-6,9-10H,2-4,7-8H2,1H3,(H2,15,17,18)
InChIKeyDCURAKQDTMLKHF-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.69
Rot. Bonds7

About 2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate

2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate (PubChem CID 106207062) has the molecular formula C14H19NO5S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate.

Molecular Properties

Compound Name2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate
PubChem CID106207062
Molecular FormulaC14H19NO5S
Molecular Weight313.38 g/mol
Exact Mass313.10
IUPAC Name2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate
SMILESCCOc1ccc(C(=O)OCCC2CC2)cc1S(N)(=O)=O
InChIInChI=1S/C14H19NO5S/c1-2-19-12-6-5-11(9-13(12)21(15,17)18)14(16)20-8-7-10-3-4-10/h5-6,9-10H,2-4,7-8H2,1H3,(H2,15,17,18)
InChIKeyDCURAKQDTMLKHF-UHFFFAOYSA-N
XLogP1.69
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-ethoxy-3-sulfamoylbenzoate
CID 65380420
4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid
CID 43560583
cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate
CID 65382037
ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate
CID 114157704
2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate
CID 106206893
butyl 4-methoxy-3-sulfamoylbenzoate
CID 60724472
4-(oxan-4-ylmethoxy)-3-sulfamoylbenzoic acid
CID 62386977
2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate
CID 103715072
2-cyclopropylethyl 3-amino-5-ethoxybenzoate
CID 81092437
N-butan-2-yl-4-ethoxy-3-sulfamoylbenzamide
CID 60722617
4-(2-methylidenebutoxy)-3-sulfamoylbenzoic acid
CID 82921849
N-butyl-4-ethoxy-N-methyl-3-sulfamoylbenzamide
CID 65373100

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate?
The IUPAC name of 2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate (CID 106207062) is 2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate.
What is the SMILES notation for 2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate?
The canonical SMILES for 2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate is CCOc1ccc(C(=O)OCCC2CC2)cc1S(N)(=O)=O.
What is the InChIKey of 2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate?
The InChIKey is DCURAKQDTMLKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5S/c1-2-19-12-6-5-11(9-13(12)21(15,17)18)14(16)20-8-7-10-3-4-10/h5-6,9-10H,2-4,7-8H2,1H3,(H2,15,17,18).
What are the key properties of 2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate?
2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate has a molecular weight of 313.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate is sourced from PubChem (CID 106207062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).