4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide

C19H17FN2O3S — CID 162665230

IUPAC4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide
SMILESCCC(=O)c1cc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)[nH]1
InChIInChI=1S/C19H17FN2O3S/c1-2-18(23)17-11-16(12-3-7-14(20)8-4-12)19(22-17)13-5-9-15(10-6-13)26(21,24)25/h3-11,22H,2H2,1H3,(H2,21,24,25)
InChIKeyZYVNYCXPTDQFIH-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.73
Rot. Bonds5

About 4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide

4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide (PubChem CID 162665230) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide
PubChem CID162665230
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide
SMILESCCC(=O)c1cc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)[nH]1
InChIInChI=1S/C19H17FN2O3S/c1-2-18(23)17-11-16(12-3-7-14(20)8-4-12)19(22-17)13-5-9-15(10-6-13)26(21,24)25/h3-11,22H,2H2,1H3,(H2,21,24,25)
InChIKeyZYVNYCXPTDQFIH-UHFFFAOYSA-N
XLogP3.73
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide (CID 162665230) is 4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide is CCC(=O)c1cc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)cc2)[nH]1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide?
The InChIKey is ZYVNYCXPTDQFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-2-18(23)17-11-16(12-3-7-14(20)8-4-12)19(22-17)13-5-9-15(10-6-13)26(21,24)25/h3-11,22H,2H2,1H3,(H2,21,24,25).
What are the key properties of 4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide?
4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide has a molecular weight of 372.42 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-5-propanoyl-1H-pyrrol-2-yl]benzenesulfonamide is sourced from PubChem (CID 162665230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).