ethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate

C14H20ClN3O5S — CID 75270012

IUPACethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate
SMILESCCOC(=O)C1C(C)NNC1S(=O)(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H20ClN3O5S/c1-4-23-14(19)12-8(2)16-17-13(12)24(20,21)18-9-5-6-11(22-3)10(15)7-9/h5-8,12-13,16-18H,4H2,1-3H3
InChIKeyCWGKDUUKJZXOJE-UHFFFAOYSA-N
MW377.85 g/mol
LogP1.09
Rot. Bonds6

About ethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate

ethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate (PubChem CID 75270012) has the molecular formula C14H20ClN3O5S and a molecular weight of 377.85 g/mol. Its IUPAC name is ethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate
PubChem CID75270012
Molecular FormulaC14H20ClN3O5S
Molecular Weight377.85 g/mol
Exact Mass377.08
IUPAC Nameethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate
SMILESCCOC(=O)C1C(C)NNC1S(=O)(=O)Nc1ccc(OC)c(Cl)c1
InChIInChI=1S/C14H20ClN3O5S/c1-4-23-14(19)12-8(2)16-17-13(12)24(20,21)18-9-5-6-11(22-3)10(15)7-9/h5-8,12-13,16-18H,4H2,1-3H3
InChIKeyCWGKDUUKJZXOJE-UHFFFAOYSA-N
XLogP1.09
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-(3-chloro-4-methoxyanilino)propanoate
CID 43174181
methyl 2-[[3-methyl-5-[(4-methylphenyl)sulfamoyl]pyrazolidine-4-carbonyl]amino]acetate
CID 75270322
ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
CID 112987218
N-(3-chloro-4-methoxyphenyl)-4-hydrazinylbenzenesulfonamide
CID 43454822
methyl 4-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 26487204
3-[(4-ethoxyphenyl)sulfamoyl]-5-methyl-N-(4-propan-2-ylphenyl)pyrazolidine-4-carboxamide
CID 75270307
2-[(3-chloro-4-ethoxyphenyl)sulfamoyl]acetic acid
CID 60934471
ethyl 2-chloro-5-[(3-hydroxy-4-methoxyphenyl)sulfamoyl]benzoate
CID 150284750
N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide
CID 112998367
methyl 2-[(3-chloro-4-methoxyphenyl)sulfamoyl]benzoate
CID 8523413
ethyl 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108989901
ethyl 2-[(3-chloro-4-methoxyphenyl)carbamoylamino]benzoate
CID 108991960

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate?
The IUPAC name of ethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate (CID 75270012) is ethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate.
What is the SMILES notation for ethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate?
The canonical SMILES for ethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate is CCOC(=O)C1C(C)NNC1S(=O)(=O)Nc1ccc(OC)c(Cl)c1.
What is the InChIKey of ethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate?
The InChIKey is CWGKDUUKJZXOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O5S/c1-4-23-14(19)12-8(2)16-17-13(12)24(20,21)18-9-5-6-11(22-3)10(15)7-9/h5-8,12-13,16-18H,4H2,1-3H3.
What are the key properties of ethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate?
ethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate has a molecular weight of 377.85 g/mol, XLogP of 1.09, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-chloro-4-methoxyphenyl)sulfamoyl]-5-methylpyrazolidine-4-carboxylate is sourced from PubChem (CID 75270012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).