N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide

C27H25N3O3S — CID 55558056

IUPACN-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCn3cccc3C2c2ccccc2)c1
InChIInChI=1S/C27H25N3O3S/c1-28(23-13-6-3-7-14-23)34(32,33)24-15-8-12-22(20-24)27(31)30-19-18-29-17-9-16-25(29)26(30)21-10-4-2-5-11-21/h2-17,20,26H,18-19H2,1H3
InChIKeyZOXDZJQYIWBCFF-UHFFFAOYSA-N
MW471.58 g/mol
LogP4.56
Rot. Bonds5

About N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide

N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide (PubChem CID 55558056) has the molecular formula C27H25N3O3S and a molecular weight of 471.58 g/mol. Its IUPAC name is N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide
PubChem CID55558056
Molecular FormulaC27H25N3O3S
Molecular Weight471.58 g/mol
Exact Mass471.16
IUPAC NameN-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCn3cccc3C2c2ccccc2)c1
InChIInChI=1S/C27H25N3O3S/c1-28(23-13-6-3-7-14-23)34(32,33)24-15-8-12-22(20-24)27(31)30-19-18-29-17-9-16-25(29)26(30)21-10-4-2-5-11-21/h2-17,20,26H,18-19H2,1H3
InChIKeyZOXDZJQYIWBCFF-UHFFFAOYSA-N
XLogP4.56
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide 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

(3-fluorophenyl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 24859698
[1-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-fluorophenyl)methanone
CID 42812200
N-methyl-N-phenyl-3-[(2S)-2-pyridin-3-ylpyrrolidine-1-carbonyl]benzenesulfonamide
CID 34477512
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2331661
N-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide
CID 55985293
N-[3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)phenyl]-2H-benzotriazole-5-sulfonamide
CID 166183856
(3-fluorophenyl)-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 93115169
N-methyl-N-phenyl-3-(2-thiophen-2-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 42907938
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
3-[4-(2-hydroxyethyl)piperazine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2336771
(5-methyl-1H-pyrazol-3-yl)-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 51093120
3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 40854673

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide?
The IUPAC name of N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide (CID 55558056) is N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide is CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCn3cccc3C2c2ccccc2)c1.
What is the InChIKey of N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide?
The InChIKey is ZOXDZJQYIWBCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3S/c1-28(23-13-6-3-7-14-23)34(32,33)24-15-8-12-22(20-24)27(31)30-19-18-29-17-9-16-25(29)26(30)21-10-4-2-5-11-21/h2-17,20,26H,18-19H2,1H3.
What are the key properties of N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide?
N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide has a molecular weight of 471.58 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-phenyl-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide is sourced from PubChem (CID 55558056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).