2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide

C16H15Cl2NO4S — CID 92547466

IUPAC2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15Cl2NO4S/c1-10(11-2-5-14-15(8-11)23-7-6-22-14)19-24(20,21)16-9-12(17)3-4-13(16)18/h2-5,8-10,19H,6-7H2,1H3/t10-/m1/s1
InChIKeyHDFAJMZWDNGEQV-SNVBAGLBSA-N
MW388.27 g/mol
LogP3.80
Rot. Bonds4

About 2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide

2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide (PubChem CID 92547466) has the molecular formula C16H15Cl2NO4S and a molecular weight of 388.27 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
PubChem CID92547466
Molecular FormulaC16H15Cl2NO4S
Molecular Weight388.27 g/mol
Exact Mass387.01
IUPAC Name2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15Cl2NO4S/c1-10(11-2-5-14-15(8-11)23-7-6-22-14)19-24(20,21)16-9-12(17)3-4-13(16)18/h2-5,8-10,19H,6-7H2,1H3/t10-/m1/s1
InChIKeyHDFAJMZWDNGEQV-SNVBAGLBSA-N
XLogP3.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide with MolForge

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Related Compounds

2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 9356180
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
1-(2,4-dichlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanesulfonamide
CID 133230322
2,3-dichloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methoxybenzenesulfonamide
CID 133165105
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-difluorobenzenesulfonamide
CID 9356151
6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 95135138
2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 45147167
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ethanesulfonamide
CID 107651412
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluorobenzenesulfonamide
CID 18141997
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 9462686
3-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propane-1-sulfonamide
CID 60959785
4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 9356188

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide (CID 92547466) is 2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
The InChIKey is HDFAJMZWDNGEQV-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15Cl2NO4S/c1-10(11-2-5-14-15(8-11)23-7-6-22-14)19-24(20,21)16-9-12(17)3-4-13(16)18/h2-5,8-10,19H,6-7H2,1H3/t10-/m1/s1.
What are the key properties of 2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide has a molecular weight of 388.27 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 92547466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).