N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide

C17H18ClFN4O4S — CID 75543375

IUPACN-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)Nc3ccc(F)c(Cl)c3)NN2)cc1S(N)(=O)=O
InChIInChI=1S/C17H18ClFN4O4S/c1-27-15-5-2-9(6-16(15)28(20,25)26)13-8-14(23-22-13)17(24)21-10-3-4-12(19)11(18)7-10/h2-7,13-14,22-23H,8H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyMWBUUKOXVSIKPH-UHFFFAOYSA-N
MW428.87 g/mol
LogP1.68
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide

N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide (PubChem CID 75543375) has the molecular formula C17H18ClFN4O4S and a molecular weight of 428.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
PubChem CID75543375
Molecular FormulaC17H18ClFN4O4S
Molecular Weight428.87 g/mol
Exact Mass428.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)Nc3ccc(F)c(Cl)c3)NN2)cc1S(N)(=O)=O
InChIInChI=1S/C17H18ClFN4O4S/c1-27-15-5-2-9(6-16(15)28(20,25)26)13-8-14(23-22-13)17(24)21-10-3-4-12(19)11(18)7-10/h2-7,13-14,22-23H,8H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyMWBUUKOXVSIKPH-UHFFFAOYSA-N
XLogP1.68
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.87
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide
CID 52987361
5-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)pyrazolidine-3-carboxamide
CID 75543396
N-(3-chloro-4-methoxyphenyl)-5-(4-chlorophenyl)pyrazolidine-3-carboxamide
CID 75085710
N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
CID 75543395
N-(3-chloro-4-methoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975433
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
5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 75543400
N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975396
N-(2,5-dimethylphenyl)-5-[3-(dimethylsulfamoyl)-4-methoxyphenyl]pyrazolidine-3-carboxamide
CID 75543323
N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide
CID 75543372
N-(3,4-difluorophenyl)-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75254832

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide (CID 75543375) is N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide is COc1ccc(C2CC(C(=O)Nc3ccc(F)c(Cl)c3)NN2)cc1S(N)(=O)=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide?
The InChIKey is MWBUUKOXVSIKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O4S/c1-27-15-5-2-9(6-16(15)28(20,25)26)13-8-14(23-22-13)17(24)21-10-3-4-12(19)11(18)7-10/h2-7,13-14,22-23H,8H2,1H3,(H,21,24)(H2,20,25,26).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide has a molecular weight of 428.87 g/mol, XLogP of 1.68, 5 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-sulfamoylphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75543375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).