N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C15H21NO4S — CID 2142659

IUPACN-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO4S/c1-16(12-5-3-2-4-6-12)21(17,18)13-7-8-14-15(11-13)20-10-9-19-14/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyJGCSZJUZGUVMLG-UHFFFAOYSA-N
MW311.40 g/mol
LogP2.41
Rot. Bonds3

About N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 2142659) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID2142659
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC NameN-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO4S/c1-16(12-5-3-2-4-6-12)21(17,18)13-7-8-14-15(11-13)20-10-9-19-14/h7-8,11-12H,2-6,9-10H2,1H3
InChIKeyJGCSZJUZGUVMLG-UHFFFAOYSA-N
XLogP2.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-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-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2470338
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
4-bromo-N-cyclohexyl-N,3-dimethylbenzenesulfonamide
CID 42997513
N,N-diethyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2866313
3-amino-N-cyclohexyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257349
N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
CID 78786922
N-cyclopropyl-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 71896602
4-bromo-N-cyclopentyl-N-methylbenzenesulfonamide
CID 28632510
N-(2-hydroxypropyl)-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55060783
N-cycloheptyl-3,5-difluoro-N-methylbenzenesulfonamide
CID 55476609
4-(1-aminoethyl)-N-cyclohexyl-N-methylbenzenesulfonamide
CID 43110382
4-cyano-N-cycloheptyl-N-methylbenzenesulfonamide
CID 18129528

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 2142659) is N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is JGCSZJUZGUVMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4S/c1-16(12-5-3-2-4-6-12)21(17,18)13-7-8-14-15(11-13)20-10-9-19-14/h7-8,11-12H,2-6,9-10H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 311.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 2142659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).