ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate

C15H21NO4S — CID 114545305

IUPACethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NC2CCC(C)C2)cc1
InChIInChI=1S/C15H21NO4S/c1-3-20-15(17)12-5-8-14(9-6-12)21(18,19)16-13-7-4-11(2)10-13/h5-6,8-9,11,13,16H,3-4,7,10H2,1-2H3
InChIKeyCOPOMCNQBTWKMU-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.33
Rot. Bonds5

About ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate

ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate (PubChem CID 114545305) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate
PubChem CID114545305
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Nameethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate
SMILESCCOC(=O)c1ccc(S(=O)(=O)NC2CCC(C)C2)cc1
InChIInChI=1S/C15H21NO4S/c1-3-20-15(17)12-5-8-14(9-6-12)21(18,19)16-13-7-4-11(2)10-13/h5-6,8-9,11,13,16H,3-4,7,10H2,1-2H3
InChIKeyCOPOMCNQBTWKMU-UHFFFAOYSA-N
XLogP2.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzoate
CID 25035168
[2-(4-methylphenyl)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 55380270
2-[4-[(3-methylcyclopentyl)sulfamoyl]phenyl]acetic acid
CID 114543628
[2-(butylamino)-2-oxoethyl] 4-(cyclopropylsulfamoyl)benzoate
CID 30810938
4-ethoxy-3-methyl-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545155
4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
ethyl 4-(hydrazinesulfonyl)benzoate
CID 19755145
ethyl 4-[(3-hydroxycyclobutyl)methylsulfamoyl]benzoate
CID 66005245
4-(2-methoxyethoxy)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545150
N-cyclopropyl-4-[(3-methylcyclopentyl)amino]benzenesulfonamide
CID 114547826
ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 2943450
4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552052

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate?
The IUPAC name of ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate (CID 114545305) is ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate.
What is the SMILES notation for ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate?
The canonical SMILES for ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate is CCOC(=O)c1ccc(S(=O)(=O)NC2CCC(C)C2)cc1.
What is the InChIKey of ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate?
The InChIKey is COPOMCNQBTWKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-3-20-15(17)12-5-8-14(9-6-12)21(18,19)16-13-7-4-11(2)10-13/h5-6,8-9,11,13,16H,3-4,7,10H2,1-2H3.
What are the key properties of ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate?
ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate has a molecular weight of 311.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-methylcyclopentyl)sulfamoyl]benzoate is sourced from PubChem (CID 114545305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).