N-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

C24H27FN2O5S — CID 4794788

IUPACN-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)c(C)n1CC1CCCO1
InChIInChI=1S/C24H27FN2O5S/c1-17-13-21(18(2)27(17)15-20-8-6-12-32-20)23(28)16-26(14-19-7-5-11-31-19)33(29,30)24-10-4-3-9-22(24)25/h3-5,7,9-11,13,20H,6,8,12,14-16H2,1-2H3
InChIKeyJAGJAPPFVDFZBP-UHFFFAOYSA-N
MW474.55 g/mol
LogP4.09
Rot. Bonds9

About N-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide

N-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 4794788) has the molecular formula C24H27FN2O5S and a molecular weight of 474.55 g/mol. Its IUPAC name is N-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID4794788
Molecular FormulaC24H27FN2O5S
Molecular Weight474.55 g/mol
Exact Mass474.16
IUPAC NameN-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)c(C)n1CC1CCCO1
InChIInChI=1S/C24H27FN2O5S/c1-17-13-21(18(2)27(17)15-20-8-6-12-32-20)23(28)16-26(14-19-7-5-11-31-19)33(29,30)24-10-4-3-9-22(24)25/h3-5,7,9-11,13,20H,6,8,12,14-16H2,1-2H3
InChIKeyJAGJAPPFVDFZBP-UHFFFAOYSA-N
XLogP4.09
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-Fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-(furan-2-ylmethylamino)ethanone
CID 2313814
1-(furan-2-ylmethyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 2414080
2-({5,7-Dioxo-5H,6H,7H-pyrrolo[3,4-B]pyridin-6-YL}methyl)-5-fluoro-N-[(furan-2-YL)methyl]-N-methylbenzene-1-sulfonamide
CID 20917879
Ethyl 1,2,5-trimethyl-4-{[(5-methylfuran-2-YL)methyl]sulfamoyl}-1H-pyrrole-3-carboxylate
CID 20927333
ethyl 4-{[(2-furylmethyl)(methyl)amino]sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate
CID 20927355
Ethyl 4-(furan-2-ylmethylsulfamoyl)-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927272
1-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
CID 2532303
N-[(furan-2-yl)methyl]-N-[2-oxo-2-(1,2,5-trimethyl-1H-pyrrol-3-yl)ethyl]-2-phenylethene-1-sulfonamide
CID 2565646
N-[4-[2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethoxy]phenyl]-N,4-dimethylbenzenesulfonamide
CID 16301494
1-[2-[1-[2-(4-Fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-3-(furan-2-ylmethyl)imidazolidine-2,4,5-trione
CID 16316170
1-[2-[1-(Furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 2462191
N-[(4-fluorophenyl)methyl]-1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxamide
CID 17543741

Frequently Asked Questions

What is the IUPAC name of N-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide (CID 4794788) is N-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is Cc1cc(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2F)c(C)n1CC1CCCO1.
What is the InChIKey of N-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is JAGJAPPFVDFZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O5S/c1-17-13-21(18(2)27(17)15-20-8-6-12-32-20)23(28)16-26(14-19-7-5-11-31-19)33(29,30)24-10-4-3-9-22(24)25/h3-5,7,9-11,13,20H,6,8,12,14-16H2,1-2H3.
What are the key properties of N-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide?
N-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 474.55 g/mol, XLogP of 4.09, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2,5-dimethyl-1-(oxolan-2-ylmethyl)pyrrol-3-yl]-2-oxoethyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 4794788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).