1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

C20H18F3N3O3S — CID 59807565

IUPAC1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cn(C)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O3S/c1-12-16(19(27)25-13-7-9-14(10-8-13)30(24,28)29)11-26(2)18(12)15-5-3-4-6-17(15)20(21,22)23/h3-11H,1-2H3,(H,25,27)(H2,24,28,29)
InChIKeySFSVQVJYFAFRQD-UHFFFAOYSA-N
MW437.44 g/mol
LogP3.92
Rot. Bonds4

About 1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 59807565) has the molecular formula C20H18F3N3O3S and a molecular weight of 437.44 g/mol. Its IUPAC name is 1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID59807565
Molecular FormulaC20H18F3N3O3S
Molecular Weight437.44 g/mol
Exact Mass437.10
IUPAC Name1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cn(C)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O3S/c1-12-16(19(27)25-13-7-9-14(10-8-13)30(24,28)29)11-26(2)18(12)15-5-3-4-6-17(15)20(21,22)23/h3-11H,1-2H3,(H,25,27)(H2,24,28,29)
InChIKeySFSVQVJYFAFRQD-UHFFFAOYSA-N
XLogP3.92
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 59807565) is 1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cn(C)c1-c1ccccc1C(F)(F)F.
What is the InChIKey of 1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is SFSVQVJYFAFRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3S/c1-12-16(19(27)25-13-7-9-14(10-8-13)30(24,28)29)11-26(2)18(12)15-5-3-4-6-17(15)20(21,22)23/h3-11H,1-2H3,(H,25,27)(H2,24,28,29).
What are the key properties of 1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 437.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(4-sulfamoylphenyl)-5-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 59807565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).