1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole

C19H16ClF2NO2S — CID 59750748

IUPAC1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole
SMILESO=S(=O)(c1ccc(Cl)cc1)C(CCn1cccc1)c1cc(F)ccc1F
InChIInChI=1S/C19H16ClF2NO2S/c20-14-3-6-16(7-4-14)26(24,25)19(9-12-23-10-1-2-11-23)17-13-15(21)5-8-18(17)22/h1-8,10-11,13,19H,9,12H2
InChIKeyOXKBVVDHUIFYRA-UHFFFAOYSA-N
MW395.86 g/mol
LogP5.03
Rot. Bonds6

About 1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole

1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole (PubChem CID 59750748) has the molecular formula C19H16ClF2NO2S and a molecular weight of 395.86 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole
PubChem CID59750748
Molecular FormulaC19H16ClF2NO2S
Molecular Weight395.86 g/mol
Exact Mass395.06
IUPAC Name1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole
SMILESO=S(=O)(c1ccc(Cl)cc1)C(CCn1cccc1)c1cc(F)ccc1F
InChIInChI=1S/C19H16ClF2NO2S/c20-14-3-6-16(7-4-14)26(24,25)19(9-12-23-10-1-2-11-23)17-13-15(21)5-8-18(17)22/h1-8,10-11,13,19H,9,12H2
InChIKeyOXKBVVDHUIFYRA-UHFFFAOYSA-N
XLogP5.03
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.86
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-chlorophenyl)sulfonyl-4-phenylpentyl]-1,4-difluorobenzene
CID 23028629
2-[1-(4-chlorophenyl)sulfonyl-3-(2-methylphenyl)propyl]-1,4-difluorobenzene
CID 23028766
2-[1-(4-chlorophenyl)sulfonyl-6-methylsulfonylhexyl]-1,4-difluorobenzene
CID 59750834
2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyridine
CID 59750846
2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)-N,N-dimethylethanamine
CID 16681305
[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl] pyridine-2-carboxylate
CID 141068504
ethyl 2-(4-chlorophenyl)sulfonyl-2-(2,5-difluorophenyl)acetate
CID 142175698
1,4-difluoro-2-[1-(4-methylphenyl)sulfonyl-5-methylsulfonylpentyl]benzene
CID 59750767
tert-butyl-[2-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]sulfanylethoxy]-diphenyl-λ4-sulfane
CID 59750802
2-[1-(4-chlorophenyl)sulfonyl-2-methyl-5-methylsulfinylpentyl]-1,4-difluorobenzene
CID 59750710
tert-butyl N-[5-(4-chlorophenyl)sulfonyl-5-(2,5-difluorophenyl)pentyl]-N-methylsulfanylcarbamate
CID 89262916
4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)-3-methylbutanal
CID 86601720

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole?
The IUPAC name of 1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole (CID 59750748) is 1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole.
What is the SMILES notation for 1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole?
The canonical SMILES for 1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole is O=S(=O)(c1ccc(Cl)cc1)C(CCn1cccc1)c1cc(F)ccc1F.
What is the InChIKey of 1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole?
The InChIKey is OXKBVVDHUIFYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF2NO2S/c20-14-3-6-16(7-4-14)26(24,25)19(9-12-23-10-1-2-11-23)17-13-15(21)5-8-18(17)22/h1-8,10-11,13,19H,9,12H2.
What are the key properties of 1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole?
1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole has a molecular weight of 395.86 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)propyl]pyrrole is sourced from PubChem (CID 59750748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).