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

C17H13F3N2O2S — CID 21221505

IUPAC4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(F)F)cn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13F3N2O2S/c18-13-3-5-14(6-4-13)22-10-12(17(19)20)9-16(22)11-1-7-15(8-2-11)25(21,23)24/h1-10,17H,(H2,21,23,24)
InChIKeyQLEMCSILNJJTJK-UHFFFAOYSA-N
MW366.36 g/mol
LogP3.87
Rot. Bonds4

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

4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide (PubChem CID 21221505) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is 4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide
PubChem CID21221505
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(F)F)cn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H13F3N2O2S/c18-13-3-5-14(6-4-13)22-10-12(17(19)20)9-16(22)11-1-7-15(8-2-11)25(21,23)24/h1-10,17H,(H2,21,23,24)
InChIKeyQLEMCSILNJJTJK-UHFFFAOYSA-N
XLogP3.87
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(difluoromethyl)-2-phenylpyrrol-1-yl]benzenesulfonamide
CID 141086948
4-[1-(4-fluorophenyl)-4-(trifluoromethyl)pyrrol-2-yl]benzenesulfonamide
CID 21221509
4-[2-[4-(1-hydroxyethyl)phenyl]-4-methylpyrrol-1-yl]benzenesulfonamide
CID 68645665
4-[2-[4-(difluoromethyl)phenyl]-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 22998040
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
4-[3-(4-fluorophenyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
CID 118855485
4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide
CID 22998004
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
ethane;4-[2-(3-fluoro-5-methylphenyl)-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 142958750
4-[3-(4-fluorophenyl)-2,5-dioxo-4-propan-2-ylsulfanylpyrrol-1-yl]benzenesulfonamide
CID 110545273
4-[5-(4-fluorophenyl)-2-methylidene-1-pyridinyl]benzenesulfonamide
CID 89134182

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide (CID 21221505) is 4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc(C(F)F)cn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide?
The InChIKey is QLEMCSILNJJTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c18-13-3-5-14(6-4-13)22-10-12(17(19)20)9-16(22)11-1-7-15(8-2-11)25(21,23)24/h1-10,17H,(H2,21,23,24).
What are the key properties of 4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide?
4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide has a molecular weight of 366.36 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethyl)-1-(4-fluorophenyl)pyrrol-2-yl]benzenesulfonamide is sourced from PubChem (CID 21221505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).