3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide

C18H22N4O4S — CID 78153825

IUPAC3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide
SMILESCOc1ccc(C2NNCC2C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N4O4S/c1-26-14-6-4-13(5-7-14)17-16(11-21-22-17)18(23)20-10-12-2-8-15(9-3-12)27(19,24)25/h2-9,16-17,21-22H,10-11H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyPACLKILJJIYQPH-UHFFFAOYSA-N
MW390.47 g/mol
LogP0.42
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide

3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide (PubChem CID 78153825) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide
PubChem CID78153825
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC Name3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide
SMILESCOc1ccc(C2NNCC2C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N4O4S/c1-26-14-6-4-13(5-7-14)17-16(11-21-22-17)18(23)20-10-12-2-8-15(9-3-12)27(19,24)25/h2-9,16-17,21-22H,10-11H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyPACLKILJJIYQPH-UHFFFAOYSA-N
XLogP0.42
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 3581074
3-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]pyrazolidine-4-carboxamide
CID 73277722
1-[(4-methoxyphenyl)methyl]-3-(4-sulfamoylphenyl)urea
CID 27870188
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
(1R,6R)-6-[(4-methoxyphenyl)methylcarbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 6938180
2-amino-N-[(4-sulfamoylphenyl)methyl]cyclopentane-1-carboxamide
CID 64818110
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1011870
4-N-[(4-methoxyphenyl)methyl]benzene-1,4-disulfonamide
CID 26527057
cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
CID 40606359
N-[(6-methoxynaphthalen-2-yl)methyl]-4-sulfamoylbenzamide
CID 41287032
(1R,2S,5R)-5-methyl-2-propan-2-yl-N-[(4-sulfamoylphenyl)methyl]cyclohexane-1-carboxamide
CID 59860935
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide
CID 52975465

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide (CID 78153825) is 3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide is COc1ccc(C2NNCC2C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide?
The InChIKey is PACLKILJJIYQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-26-14-6-4-13(5-7-14)17-16(11-21-22-17)18(23)20-10-12-2-8-15(9-3-12)27(19,24)25/h2-9,16-17,21-22H,10-11H2,1H3,(H,20,23)(H2,19,24,25).
What are the key properties of 3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide?
3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 0.42, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(4-sulfamoylphenyl)methyl]pyrazolidine-4-carboxamide is sourced from PubChem (CID 78153825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).