4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide

C20H19FN2O3S — CID 162663577

IUPAC4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide
SMILESCCC(=O)c1cc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1C
InChIInChI=1S/C20H19FN2O3S/c1-3-19(24)18-12-17(13-4-8-15(21)9-5-13)20(23(18)2)14-6-10-16(11-7-14)27(22,25)26/h4-12H,3H2,1-2H3,(H2,22,25,26)
InChIKeyXDUQYQNMFPAOBR-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.74
Rot. Bonds5

About 4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide

4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide (PubChem CID 162663577) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide
PubChem CID162663577
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide
SMILESCCC(=O)c1cc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1C
InChIInChI=1S/C20H19FN2O3S/c1-3-19(24)18-12-17(13-4-8-15(21)9-5-13)20(23(18)2)14-6-10-16(11-7-14)27(22,25)26/h4-12H,3H2,1-2H3,(H2,22,25,26)
InChIKeyXDUQYQNMFPAOBR-UHFFFAOYSA-N
XLogP3.74
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide (CID 162663577) is 4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide is CCC(=O)c1cc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1C.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide?
The InChIKey is XDUQYQNMFPAOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-3-19(24)18-12-17(13-4-8-15(21)9-5-13)20(23(18)2)14-6-10-16(11-7-14)27(22,25)26/h4-12H,3H2,1-2H3,(H2,22,25,26).
What are the key properties of 4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide?
4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide has a molecular weight of 386.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-methyl-5-propanoylpyrrol-2-yl]benzenesulfonamide is sourced from PubChem (CID 162663577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).