N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide

C18H20ClFN4O4S — CID 52987361

IUPACN-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide
SMILESCNS(=O)(=O)c1cc(C2CC(C(=O)Nc3ccc(F)c(Cl)c3)NN2)ccc1OC
InChIInChI=1S/C18H20ClFN4O4S/c1-21-29(26,27)17-7-10(3-6-16(17)28-2)14-9-15(24-23-14)18(25)22-11-4-5-13(20)12(19)8-11/h3-8,14-15,21,23-24H,9H2,1-2H3,(H,22,25)
InChIKeyWEHVMOQXTWNUTG-UHFFFAOYSA-N
MW442.90 g/mol
LogP1.94
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide (PubChem CID 52987361) has the molecular formula C18H20ClFN4O4S and a molecular weight of 442.90 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide
PubChem CID52987361
Molecular FormulaC18H20ClFN4O4S
Molecular Weight442.90 g/mol
Exact Mass442.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide
SMILESCNS(=O)(=O)c1cc(C2CC(C(=O)Nc3ccc(F)c(Cl)c3)NN2)ccc1OC
InChIInChI=1S/C18H20ClFN4O4S/c1-21-29(26,27)17-7-10(3-6-16(17)28-2)14-9-15(24-23-14)18(25)22-11-4-5-13(20)12(19)8-11/h3-8,14-15,21,23-24H,9H2,1-2H3,(H,22,25)
InChIKeyWEHVMOQXTWNUTG-UHFFFAOYSA-N
XLogP1.94
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
CID 75543375
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 75085710
N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975433
5-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)pyrazolidine-3-carboxamide
CID 75543396
5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 75543400
5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75543348
5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-(4-ethylphenyl)pyrazolidine-3-carboxamide
CID 75543296
N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75972765
N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975396
N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
CID 75543395
N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide (CID 52987361) is N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide is CNS(=O)(=O)c1cc(C2CC(C(=O)Nc3ccc(F)c(Cl)c3)NN2)ccc1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide?
The InChIKey is WEHVMOQXTWNUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN4O4S/c1-21-29(26,27)17-7-10(3-6-16(17)28-2)14-9-15(24-23-14)18(25)22-11-4-5-13(20)12(19)8-11/h3-8,14-15,21,23-24H,9H2,1-2H3,(H,22,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide has a molecular weight of 442.90 g/mol, XLogP of 1.94, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 52987361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).