5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide

C18H19ClN4O4S2 — CID 67647700

IUPAC5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide
SMILESCCN(C)S(=O)(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C18H19ClN4O4S2/c1-3-22(2)29(26,27)18-12-16(13-8-10-14(19)11-9-13)23(21-18)15-6-4-5-7-17(15)28(20,24)25/h4-12H,3H2,1-2H3,(H2,20,24,25)
InChIKeyMJEWODJHSCETDJ-UHFFFAOYSA-N
MW454.96 g/mol
LogP2.48
Rot. Bonds6

About 5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide

5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide (PubChem CID 67647700) has the molecular formula C18H19ClN4O4S2 and a molecular weight of 454.96 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide
PubChem CID67647700
Molecular FormulaC18H19ClN4O4S2
Molecular Weight454.96 g/mol
Exact Mass454.05
IUPAC Name5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide
SMILESCCN(C)S(=O)(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2S(N)(=O)=O)n1
InChIInChI=1S/C18H19ClN4O4S2/c1-3-22(2)29(26,27)18-12-16(13-8-10-14(19)11-9-13)23(21-18)15-6-4-5-7-17(15)28(20,24)25/h4-12H,3H2,1-2H3,(H2,20,24,25)
InChIKeyMJEWODJHSCETDJ-UHFFFAOYSA-N
XLogP2.48
TPSA115.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide?
The IUPAC name of 5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide (CID 67647700) is 5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide is CCN(C)S(=O)(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2S(N)(=O)=O)n1.
What is the InChIKey of 5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide?
The InChIKey is MJEWODJHSCETDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O4S2/c1-3-22(2)29(26,27)18-12-16(13-8-10-14(19)11-9-13)23(21-18)15-6-4-5-7-17(15)28(20,24)25/h4-12H,3H2,1-2H3,(H2,20,24,25).
What are the key properties of 5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide?
5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide has a molecular weight of 454.96 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-ethyl-N-methyl-1-(2-sulfamoylphenyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 67647700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).