methyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate

C13H19N3O4S — CID 73215723

IUPACmethyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate
SMILESCCc1ccc(NS(=O)(=O)C2NNCC2C(=O)OC)cc1
InChIInChI=1S/C13H19N3O4S/c1-3-9-4-6-10(7-5-9)16-21(18,19)12-11(8-14-15-12)13(17)20-2/h4-7,11-12,14-16H,3,8H2,1-2H3
InChIKeyNZUASKNGBNCXKS-UHFFFAOYSA-N
MW313.38 g/mol
LogP0.21
Rot. Bonds5

About methyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate

methyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate (PubChem CID 73215723) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is methyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate
PubChem CID73215723
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Namemethyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate
SMILESCCc1ccc(NS(=O)(=O)C2NNCC2C(=O)OC)cc1
InChIInChI=1S/C13H19N3O4S/c1-3-9-4-6-10(7-5-9)16-21(18,19)12-11(8-14-15-12)13(17)20-2/h4-7,11-12,14-16H,3,8H2,1-2H3
InChIKeyNZUASKNGBNCXKS-UHFFFAOYSA-N
XLogP0.21
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[(2,4-difluorophenyl)sulfamoyl]pyrazolidine-4-carboxylate
CID 52978427
methyl (3R,4R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylate
CID 129369498
N-(4-ethylphenyl)-3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carboxamide
CID 75270281
N-(4-ethylphenyl)ethanesulfonamide
CID 896511
methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109
[1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 4-ethylbenzoate
CID 18171311
trans-(1R,2R)-2-[4-[(4-ethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxylic acid
CID 136584796
2-N-(4-ethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142087
4-ethyl-N-(4-iodophenyl)benzenesulfonamide
CID 1305687
N-[4-[(4-ethylphenyl)sulfamoyl]phenyl]acetamide
CID 798958
N-(3,5-dimethylphenyl)-4-(3,5-dimethylpyrazole-1-carbonyl)pyrazolidine-3-sulfonamide
CID 134088370
methyl 1-(4-ethylphenyl)sulfonylpyrrolidine-2-carboxylate
CID 617150

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate?
The IUPAC name of methyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate (CID 73215723) is methyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate.
What is the SMILES notation for methyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate?
The canonical SMILES for methyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate is CCc1ccc(NS(=O)(=O)C2NNCC2C(=O)OC)cc1.
What is the InChIKey of methyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate?
The InChIKey is NZUASKNGBNCXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-3-9-4-6-10(7-5-9)16-21(18,19)12-11(8-14-15-12)13(17)20-2/h4-7,11-12,14-16H,3,8H2,1-2H3.
What are the key properties of methyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate?
methyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate has a molecular weight of 313.38 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-ethylphenyl)sulfamoyl]pyrazolidine-4-carboxylate is sourced from PubChem (CID 73215723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).