2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate

C13H17NO4S — CID 103714805

IUPAC2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)OCCC1CC1
InChIInChI=1S/C13H17NO4S/c1-9-2-5-11(19(14,16)17)8-12(9)13(15)18-7-6-10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H2,14,16,17)
InChIKeyCQONLGWMDFPRJV-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.60
Rot. Bonds5

About 2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate

2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate (PubChem CID 103714805) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate.

Molecular Properties

Compound Name2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate
PubChem CID103714805
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate
SMILESCc1ccc(S(N)(=O)=O)cc1C(=O)OCCC1CC1
InChIInChI=1S/C13H17NO4S/c1-9-2-5-11(19(14,16)17)8-12(9)13(15)18-7-6-10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H2,14,16,17)
InChIKeyCQONLGWMDFPRJV-UHFFFAOYSA-N
XLogP1.60
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropylethyl 2-methyl-5-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

2-cyclopropylethyl 2-bromo-5-sulfamoylbenzoate
CID 103714125
2-cyclopropylethyl 2-fluoro-5-sulfamoylbenzoate
CID 113246509
2-cyclobutylethyl 2-bromo-5-sulfamoylbenzoate
CID 106207160
2-cyclopropylethyl 2,4-dimethyl-5-sulfamoylbenzoate
CID 103715072
3-cyanopropyl 2-methyl-5-sulfamoylbenzoate
CID 46573580
2-cyclobutylethyl 3-bromo-2-methyl-5-sulfamoylbenzoate
CID 106207109
[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320965
oxan-4-yl 2-methyl-5-sulfamoylbenzoate
CID 65382296
N-(cyclopropylmethyl)-2-methyl-N-propyl-5-sulfamoylbenzamide
CID 60637766
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320891
N-(1-cyclopropylpropan-2-yl)-2-methyl-5-sulfamoylbenzamide
CID 63994388
2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate
CID 106206893

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate?
The IUPAC name of 2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate (CID 103714805) is 2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate.
What is the SMILES notation for 2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate?
The canonical SMILES for 2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate is Cc1ccc(S(N)(=O)=O)cc1C(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate?
The InChIKey is CQONLGWMDFPRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9-2-5-11(19(14,16)17)8-12(9)13(15)18-7-6-10-3-4-10/h2,5,8,10H,3-4,6-7H2,1H3,(H2,14,16,17).
What are the key properties of 2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate?
2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate has a molecular weight of 283.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 2-methyl-5-sulfamoylbenzoate is sourced from PubChem (CID 103714805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).