N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide

C18H21ClN4O4S — CID 75543395

IUPACN-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)NCc3ccccc3Cl)NN2)cc1S(N)(=O)=O
InChIInChI=1S/C18H21ClN4O4S/c1-27-16-7-6-11(8-17(16)28(20,25)26)14-9-15(23-22-14)18(24)21-10-12-4-2-3-5-13(12)19/h2-8,14-15,22-23H,9-10H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyAYEVYDJQTUXOJL-UHFFFAOYSA-N
MW424.91 g/mol
LogP1.22
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide

N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide (PubChem CID 75543395) has the molecular formula C18H21ClN4O4S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
PubChem CID75543395
Molecular FormulaC18H21ClN4O4S
Molecular Weight424.91 g/mol
Exact Mass424.10
IUPAC NameN-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)NCc3ccccc3Cl)NN2)cc1S(N)(=O)=O
InChIInChI=1S/C18H21ClN4O4S/c1-27-16-7-6-11(8-17(16)28(20,25)26)14-9-15(23-22-14)18(24)21-10-12-4-2-3-5-13(12)19/h2-8,14-15,22-23H,9-10H2,1H3,(H,21,24)(H2,20,25,26)
InChIKeyAYEVYDJQTUXOJL-UHFFFAOYSA-N
XLogP1.22
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 51.22
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
5-(4-methoxy-3-sulfamoylphenyl)-N-(4-propan-2-ylphenyl)pyrazolidine-3-carboxamide
CID 75543396
N-[(2-chlorophenyl)methyl]-4-methoxy-3-sulfamoylbenzamide
CID 36861804
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234440
N-[(4-fluorophenyl)methyl]-5-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pyrazolidine-3-carboxamide
CID 75543372
5-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]pyrazolidine-3-carboxamide
CID 75543348
N-[(2-chloro-4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75283653
N-[(2-chloro-4-fluorophenyl)methyl]-5-(3-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75255262
N-(3-chloro-4-fluorophenyl)-5-[4-methoxy-3-(methylsulfamoyl)phenyl]pyrazolidine-3-carboxamide
CID 52987361
N-[(2,4-dimethoxyphenyl)methyl]-5-(4-fluorophenyl)pyrazolidine-3-carboxamide
CID 75194169
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-methoxyphenyl)pyrazolidine-3-carboxamide
CID 75234457
5-[3-(ethylsulfamoyl)-4-methoxyphenyl]-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 75543400

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide (CID 75543395) is N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide is COc1ccc(C2CC(C(=O)NCc3ccccc3Cl)NN2)cc1S(N)(=O)=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide?
The InChIKey is AYEVYDJQTUXOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O4S/c1-27-16-7-6-11(8-17(16)28(20,25)26)14-9-15(23-22-14)18(24)21-10-12-4-2-3-5-13(12)19/h2-8,14-15,22-23H,9-10H2,1H3,(H,21,24)(H2,20,25,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide?
N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide has a molecular weight of 424.91 g/mol, XLogP of 1.22, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-5-(4-methoxy-3-sulfamoylphenyl)pyrazolidine-3-carboxamide is sourced from PubChem (CID 75543395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).