N-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide

C19H19N3O4S — CID 169370990

IUPACN-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(N3C(=O)C4CCCN4C3=O)c2)cc1
InChIInChI=1S/C19H19N3O4S/c1-13-7-9-16(10-8-13)27(25,26)20-14-4-2-5-15(12-14)22-18(23)17-6-3-11-21(17)19(22)24/h2,4-5,7-10,12,17,20H,3,6,11H2,1H3
InChIKeyAWEPGUPLQLKMMH-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.73
Rot. Bonds4

About N-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide

N-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 169370990) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide
PubChem CID169370990
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(N3C(=O)C4CCCN4C3=O)c2)cc1
InChIInChI=1S/C19H19N3O4S/c1-13-7-9-16(10-8-13)27(25,26)20-14-4-2-5-15(12-14)22-18(23)17-6-3-11-21(17)19(22)24/h2,4-5,7-10,12,17,20H,3,6,11H2,1H3
InChIKeyAWEPGUPLQLKMMH-UHFFFAOYSA-N
XLogP2.73
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110874022
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525
2-(3-aminophenyl)-5,6,7,8,9,9a-hexahydroimidazo[1,5-a]azepine-1,3-dione
CID 64564655
2-[3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 168560117
1-[3-[(4-methylphenyl)sulfonylamino]phenyl]-5-oxo-4H-pyrazole-3-carboxylic acid
CID 169372239
N-(3-methylphenyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168513402
N-[3-[(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)methyl]phenyl]ethanesulfonamide
CID 17052499
N-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzenesulfonamide
CID 110352274
3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
4-methylsulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 49187272
4-methyl-N-[3-[(2R)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzenesulfonamide
CID 93125424
N-[3-[(4-methylphenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540803

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide (CID 169370990) is N-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(N3C(=O)C4CCCN4C3=O)c2)cc1.
What is the InChIKey of N-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is AWEPGUPLQLKMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-13-7-9-16(10-8-13)27(25,26)20-14-4-2-5-15(12-14)22-18(23)17-6-3-11-21(17)19(22)24/h2,4-5,7-10,12,17,20H,3,6,11H2,1H3.
What are the key properties of N-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide?
N-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).