4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide

C17H12F4N2O2S — CID 21221509

IUPAC4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12F4N2O2S/c18-13-3-5-14(6-4-13)23-10-12(17(19,20)21)9-16(23)11-1-7-15(8-2-11)26(22,24)25/h1-10H,(H2,22,24,25)
InChIKeyRYWFNAXMYOFOKM-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.95
Rot. Bonds3

About 4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide

4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide (PubChem CID 21221509) has the molecular formula C17H12F4N2O2S and a molecular weight of 384.35 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide
PubChem CID21221509
Molecular FormulaC17H12F4N2O2S
Molecular Weight384.35 g/mol
Exact Mass384.06
IUPAC Name4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H12F4N2O2S/c18-13-3-5-14(6-4-13)23-10-12(17(19,20)21)9-16(23)11-1-7-15(8-2-11)26(22,24)25/h1-10H,(H2,22,24,25)
InChIKeyRYWFNAXMYOFOKM-UHFFFAOYSA-N
XLogP3.95
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide
CID 21221505
4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
CID 118855485
4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide
CID 68645665
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 142958750
4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide
CID 141086948
4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide
CID 22998004
ethane;4-[2-(4-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 142982508
4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315448
4-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 142958900
S-[4-[4-methyl-2-(4-sulfamoylphenyl)pyrrol-1-yl]phenyl] ethanethioate
CID 54381782
ethyl 5-(4-fluorophenyl)-2-methyl-1-(4-sulfamoylphenyl)pyrrole-3-carboxylate
CID 162663150

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide (CID 21221509) is 4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide?
The InChIKey is RYWFNAXMYOFOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O2S/c18-13-3-5-14(6-4-13)23-10-12(17(19,20)21)9-16(23)11-1-7-15(8-2-11)26(22,24)25/h1-10H,(H2,22,24,25).
What are the key properties of 4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide?
4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide has a molecular weight of 384.35 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide is sourced from PubChem (CID 21221509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).