2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate

C14H17ClO5S — CID 106206893

IUPAC2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1C(=O)OCCC1CC1
InChIInChI=1S/C14H17ClO5S/c1-2-19-13-6-5-11(21(15,17)18)9-12(13)14(16)20-8-7-10-3-4-10/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyMNBFRPOHTZZJQC-UHFFFAOYSA-N
MW332.81 g/mol
LogP2.97
Rot. Bonds7

About 2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate

2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate (PubChem CID 106206893) has the molecular formula C14H17ClO5S and a molecular weight of 332.81 g/mol. Its IUPAC name is 2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate.

Molecular Properties

Compound Name2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate
PubChem CID106206893
Molecular FormulaC14H17ClO5S
Molecular Weight332.81 g/mol
Exact Mass332.05
IUPAC Name2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate
SMILESCCOc1ccc(S(=O)(=O)Cl)cc1C(=O)OCCC1CC1
InChIInChI=1S/C14H17ClO5S/c1-2-19-13-6-5-11(21(15,17)18)9-12(13)14(16)20-8-7-10-3-4-10/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyMNBFRPOHTZZJQC-UHFFFAOYSA-N
XLogP2.97
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate 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

propyl 5-chlorosulfonyl-2-ethoxybenzoate
CID 65395767
cyclopropylmethyl 2-ethoxy-5-sulfamoylbenzoate
CID 65380431
ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate
CID 106203446
2-cyclopropylethyl 4-ethoxy-3-sulfamoylbenzoate
CID 106207062
methyl 5-chlorosulfonyl-2-(oxan-4-ylmethoxy)benzoate
CID 135352785
2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate
CID 103714805
3-methoxypropyl 5-chlorosulfonyl-2-methoxybenzoate
CID 65397137
2-cyclopropylethyl 2-bromo-5-sulfamoylbenzoate
CID 103714125
3-methylbutyl 5-chlorosulfonyl-2-methoxybenzoate
CID 65396581
propyl 5-chlorosulfonyl-2-methylbenzoate
CID 65398255
2-cyclopropylethyl 2-fluoro-5-sulfamoylbenzoate
CID 113246509
2-cyclobutylethyl 5-chlorosulfonyl-2,3-difluorobenzoate
CID 106206977

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate?
The IUPAC name of 2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate (CID 106206893) is 2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate.
What is the SMILES notation for 2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate?
The canonical SMILES for 2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate is CCOc1ccc(S(=O)(=O)Cl)cc1C(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate?
The InChIKey is MNBFRPOHTZZJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO5S/c1-2-19-13-6-5-11(21(15,17)18)9-12(13)14(16)20-8-7-10-3-4-10/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate?
2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate has a molecular weight of 332.81 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate is sourced from PubChem (CID 106206893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).