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

C20H18F3N3O3S — CID 59807726

IUPAC2,5-dimethyl-N-(4-sulfamoylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O3S/c1-12-11-16(19(27)25-14-7-9-15(10-8-14)30(24,28)29)13(2)26(12)18-6-4-3-5-17(18)20(21,22)23/h3-11H,1-2H3,(H,25,27)(H2,24,28,29)
InChIKeyYIJUCTLFMWFJCS-UHFFFAOYSA-N
MW437.44 g/mol
LogP4.01
Rot. Bonds4

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

2,5-dimethyl-N-(4-sulfamoylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (PubChem CID 59807726) has the molecular formula C20H18F3N3O3S and a molecular weight of 437.44 g/mol. Its IUPAC name is 2,5-dimethyl-N-(4-sulfamoylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(4-sulfamoylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
PubChem CID59807726
Molecular FormulaC20H18F3N3O3S
Molecular Weight437.44 g/mol
Exact Mass437.10
IUPAC Name2,5-dimethyl-N-(4-sulfamoylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C20H18F3N3O3S/c1-12-11-16(19(27)25-14-7-9-15(10-8-14)30(24,28)29)13(2)26(12)18-6-4-3-5-17(18)20(21,22)23/h3-11H,1-2H3,(H,25,27)(H2,24,28,29)
InChIKeyYIJUCTLFMWFJCS-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-(2-phenylethyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 11710766
N-[4-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 2086773
N-[4-({2-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl}sulfanyl)phenyl]acetamide
CID 2111906
2,5-dimethyl-1-(4-methylphenyl)-N-(4-methylphenyl)sulfonylpyrrole-3-carboxamide
CID 2318095
2,5-dimethyl-N-(4-methylphenyl)-1-phenylpyrrole-3-carboxamide
CID 2368804
4-(Azepane-1-carbonyl)-N-(2-ethylphenyl)-1,2,5-trimethyl-1H-pyrrole-3-sulfonamide
CID 20945641
N3-[3-(Dimethylamino)propyl]-1-[4-(aminosulfonyl)phenyl]-2-methyl-5-(2-naphthyl)-1H-3-pyrrolecarboxamide
CID 52940811
N-(Piperidino-1-ethyl)-1-[4-(aminosulfonyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 52941031
N-[2-(dimethylamino)ethyl]-2-methyl-5-(4-phenylphenyl)-1-(4-sulfamoylphenyl)pyrrole-3-carboxamide
CID 52942084
4-[2-Methyl-3-(4-methylpiperazine-1-carbonyl)-5-phenylpyrrol-1-yl]benzenesulfonamide
CID 52943455
N-[2-(Dimethylamino)ethyl]-1-[4-(aminosulfonyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 52944603
N-(Dimethylaminopropyl)-1-[4-(aminosulfonyl)phenyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 52949544

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(4-sulfamoylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(4-sulfamoylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide (CID 59807726) is 2,5-dimethyl-N-(4-sulfamoylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(4-sulfamoylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(4-sulfamoylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2,5-dimethyl-N-(4-sulfamoylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
The InChIKey is YIJUCTLFMWFJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O3S/c1-12-11-16(19(27)25-14-7-9-15(10-8-14)30(24,28)29)13(2)26(12)18-6-4-3-5-17(18)20(21,22)23/h3-11H,1-2H3,(H,25,27)(H2,24,28,29).
What are the key properties of 2,5-dimethyl-N-(4-sulfamoylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide?
2,5-dimethyl-N-(4-sulfamoylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide has a molecular weight of 437.44 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(4-sulfamoylphenyl)-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide is sourced from PubChem (CID 59807726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).