N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide

C20H20N2O4S — CID 25343254

IUPACN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)N(C)C[C@H]3COc4ccccc4O3)cccc2c1
InChIInChI=1S/C20H20N2O4S/c1-14-10-15-6-5-9-19(20(15)21-11-14)27(23,24)22(2)12-16-13-25-17-7-3-4-8-18(17)26-16/h3-11,16H,12-13H2,1-2H3/t16-/m0/s1
InChIKeyABUUKDVOBQCYSO-INIZCTEOSA-N
MW384.46 g/mol
LogP3.00
Rot. Bonds4

About N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide (PubChem CID 25343254) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide
PubChem CID25343254
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide
SMILESCc1cnc2c(S(=O)(=O)N(C)C[C@H]3COc4ccccc4O3)cccc2c1
InChIInChI=1S/C20H20N2O4S/c1-14-10-15-6-5-9-19(20(15)21-11-14)27(23,24)22(2)12-16-13-25-17-7-3-4-8-18(17)26-16/h3-11,16H,12-13H2,1-2H3/t16-/m0/s1
InChIKeyABUUKDVOBQCYSO-INIZCTEOSA-N
XLogP3.00
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-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

N-(1-aminopropan-2-yl)-N,3-dimethylquinoline-8-sulfonamide
CID 119982695
N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methylquinoline-8-sulfonamide
CID 46529653
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-methoxy-N-methyl-5-nitrobenzenesulfonamide
CID 51248989
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylbutane-1-sulfonamide
CID 116815002
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)sulfamoyl]acetic acid
CID 43362091
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 1168331
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 1168332
N-methyl-N-[[(5R)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]quinoline-8-sulfonamide
CID 7347486
3-methyl-8-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
CID 60534583
3-methyl-8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
CID 42936218
2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)sulfamoyl]propanoic acid
CID 61455060
3-methyl-N-propyl-N-pyrrolidin-3-ylquinoline-8-sulfonamide;hydrochloride
CID 119976613

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide?
The IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide (CID 25343254) is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide.
What is the SMILES notation for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide?
The canonical SMILES for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide is Cc1cnc2c(S(=O)(=O)N(C)C[C@H]3COc4ccccc4O3)cccc2c1.
What is the InChIKey of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide?
The InChIKey is ABUUKDVOBQCYSO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-14-10-15-6-5-9-19(20(15)21-11-14)27(23,24)22(2)12-16-13-25-17-7-3-4-8-18(17)26-16/h3-11,16H,12-13H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide?
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-N,3-dimethylquinoline-8-sulfonamide is sourced from PubChem (CID 25343254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).