4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide

C24H21N3O4S — CID 110561205

IUPAC4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide
SMILESCCN(C1=C(c2ccccc2)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O)c1ccccc1
InChIInChI=1S/C24H21N3O4S/c1-2-26(18-11-7-4-8-12-18)22-21(17-9-5-3-6-10-17)23(28)27(24(22)29)19-13-15-20(16-14-19)32(25,30)31/h3-16H,2H2,1H3,(H2,25,30,31)
InChIKeyGKYQJOPFHQVIIP-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.14
Rot. Bonds6

About 4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide

4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide (PubChem CID 110561205) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is 4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide
PubChem CID110561205
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide
SMILESCCN(C1=C(c2ccccc2)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O)c1ccccc1
InChIInChI=1S/C24H21N3O4S/c1-2-26(18-11-7-4-8-12-18)22-21(17-9-5-3-6-10-17)23(28)27(24(22)29)19-13-15-20(16-14-19)32(25,30)31/h3-16H,2H2,1H3,(H2,25,30,31)
InChIKeyGKYQJOPFHQVIIP-UHFFFAOYSA-N
XLogP3.14
TPSA100.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(N-ethylanilino)-1,4-bis(4-fluorophenyl)pyrrole-2,5-dione
CID 110544657
1-(3,5-dimethylphenyl)-3-(N-ethylanilino)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573344
3-(N-ethylanilino)-1-(2-methylphenyl)-4-phenylpyrrole-2,5-dione
CID 110561966
3-(N-ethylanilino)-4-phenyl-1-[3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 110560617
3-(N-ethylanilino)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110542146
3-(N-ethylanilino)-4-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110558061
3-(4-ethoxyphenyl)-4-(N-ethylanilino)-1-(4-propan-2-ylphenyl)pyrrole-2,5-dione
CID 110547969
3-(N-ethylanilino)-1-(3-fluorophenyl)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110544573
1-[3-(dimethylamino)phenyl]-3-(N-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545904
1-(3,4-dimethoxyphenyl)-3-(N-ethylanilino)-4-(4-fluorophenyl)pyrrole-2,5-dione
CID 110545512
1-[4-(diethylamino)phenyl]-3-hydroxy-4-phenylpyrrole-2,5-dione
CID 110581172
N-[4-[3-(3,4-dimethylphenyl)-4-(N-ethylanilino)-2,5-dioxopyrrol-1-yl]phenyl]acetamide
CID 110550353

Frequently Asked Questions

What is the IUPAC name of 4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide (CID 110561205) is 4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide is CCN(C1=C(c2ccccc2)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O)c1ccccc1.
What is the InChIKey of 4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide?
The InChIKey is GKYQJOPFHQVIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-2-26(18-11-7-4-8-12-18)22-21(17-9-5-3-6-10-17)23(28)27(24(22)29)19-13-15-20(16-14-19)32(25,30)31/h3-16H,2H2,1H3,(H2,25,30,31).
What are the key properties of 4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide?
4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide has a molecular weight of 447.52 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(N-ethylanilino)-2,5-dioxo-4-phenylpyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 110561205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).