1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

C20H23ClN2O4S — CID 31875157

IUPAC1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(Cl)c2c(c1)OCCCO2
InChIInChI=1S/C20H23ClN2O4S/c1-22(2)28(24,25)16-4-5-18-15(12-16)6-7-23(18)13-14-10-17(21)20-19(11-14)26-8-3-9-27-20/h4-5,10-12H,3,6-9,13H2,1-2H3
InChIKeyBRVHUBXCEFVSJP-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.31
Rot. Bonds4

About 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide

1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 31875157) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
PubChem CID31875157
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(Cl)c2c(c1)OCCCO2
InChIInChI=1S/C20H23ClN2O4S/c1-22(2)28(24,25)16-4-5-18-15(12-16)6-7-23(18)13-14-10-17(21)20-19(11-14)26-8-3-9-27-20/h4-5,10-12H,3,6-9,13H2,1-2H3
InChIKeyBRVHUBXCEFVSJP-UHFFFAOYSA-N
XLogP3.31
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide 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

1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 18124778
N,N-dimethyl-1-[(3-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 31875101
1-[(3-cyanophenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26570254
1-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepine-8-carbonyl)-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435397
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 17427985
1-[(3-acetyl-2,4,6-trimethylphenyl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 31875222
N,N-dimethyl-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 35416643
N,N-dimethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 26570251
2-[5-(diethylsulfamoyl)-2,3-dihydroindol-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 38268624
2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-methylamino]ethanol
CID 60684036
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetonitrile
CID 84789371
1-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 71943822

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide (CID 31875157) is 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is CN(C)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(Cl)c2c(c1)OCCCO2.
What is the InChIKey of 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is BRVHUBXCEFVSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-22(2)28(24,25)16-4-5-18-15(12-16)6-7-23(18)13-14-10-17(21)20-19(11-14)26-8-3-9-27-20/h4-5,10-12H,3,6-9,13H2,1-2H3.
What are the key properties of 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide?
1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 422.93 g/mol, XLogP of 3.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 31875157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).