8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine

C19H20N2O4S — CID 25057340

IUPAC8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine
SMILESCOc1cc2c(ccn2S(=O)(=O)c2ccccc2)c2c1OCCN(C)C2
InChIInChI=1S/C19H20N2O4S/c1-20-10-11-25-19-16(13-20)15-8-9-21(17(15)12-18(19)24-2)26(22,23)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyJCTKYYOYSVETAL-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.71
Rot. Bonds3

About 8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine

8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine (PubChem CID 25057340) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is 8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine.

Molecular Properties

Compound Name8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine
PubChem CID25057340
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC Name8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine
SMILESCOc1cc2c(ccn2S(=O)(=O)c2ccccc2)c2c1OCCN(C)C2
InChIInChI=1S/C19H20N2O4S/c1-20-10-11-25-19-16(13-20)15-8-9-21(17(15)12-18(19)24-2)26(22,23)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3
InChIKeyJCTKYYOYSVETAL-UHFFFAOYSA-N
XLogP2.71
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine 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

2-methyl-8-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine
CID 25056562
8-(3,4-dichlorophenyl)sulfonyl-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine
CID 25056039
1-(benzenesulfonyl)-4-(4-methylpiperazin-1-yl)indole
CID 10108884
1-(benzenesulfonyl)-5-methoxyindole-4-carbaldehyde
CID 86618256
1-(benzenesulfonyl)-4-methoxyindole;pyrrolidine
CID 142181785
1-(benzenesulfonyl)-6-methoxy-4-(pyrrolidin-1-ylmethyl)indole
CID 24775196
8-(2,6-difluorophenyl)sulfonyl-6-methoxy-1-methyl-1,2,3,4-tetrahydropyrrolo[3,2-g][1,4]benzoxazepine
CID 25054505
1-[1-(benzenesulfonyl)-5-methoxyindol-4-yl]-N-methylmethanamine
CID 59513523
1-(benzenesulfonyl)-4-ethyl-5-methoxyindole;ethane;methylcyclobutane
CID 143603116
1-(benzenesulfonyl)-6-fluoro-4-[(1-methylazepan-4-yl)methyl]indole
CID 143603060
8-(2-chlorophenyl)sulfonyl-6-methoxy-1-methyl-1,2,3,4-tetrahydropyrrolo[3,2-g][1,4]benzoxazepine;2,2,2-trifluoroacetic acid
CID 67241417
2-(benzenesulfonyl)-5-bromo-7,8-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 10764140

Frequently Asked Questions

What is the IUPAC name of 8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine?
The IUPAC name of 8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine (CID 25057340) is 8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine.
What is the SMILES notation for 8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine?
The canonical SMILES for 8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine is COc1cc2c(ccn2S(=O)(=O)c2ccccc2)c2c1OCCN(C)C2.
What is the InChIKey of 8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine?
The InChIKey is JCTKYYOYSVETAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-20-10-11-25-19-16(13-20)15-8-9-21(17(15)12-18(19)24-2)26(22,23)14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3.
What are the key properties of 8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine?
8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine has a molecular weight of 372.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(benzenesulfonyl)-6-methoxy-2-methyl-3,4-dihydro-1H-pyrrolo[3,2-g][1,4]benzoxazepine is sourced from PubChem (CID 25057340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).