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

C16H16ClNO4S — CID 9356180

IUPAC2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16ClNO4S/c1-11(12-6-7-14-15(10-12)22-9-8-21-14)18-23(19,20)16-5-3-2-4-13(16)17/h2-7,10-11,18H,8-9H2,1H3/t11-/m1/s1
InChIKeyCNGVEXWUMGWDEL-LLVKDONJSA-N
MW353.83 g/mol
LogP3.15
Rot. Bonds4

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

2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide (PubChem CID 9356180) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
PubChem CID9356180
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H16ClNO4S/c1-11(12-6-7-14-15(10-12)22-9-8-21-14)18-23(19,20)16-5-3-2-4-13(16)17/h2-7,10-11,18H,8-9H2,1H3/t11-/m1/s1
InChIKeyCNGVEXWUMGWDEL-LLVKDONJSA-N
XLogP3.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 92547466
2,3-dichloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methoxybenzenesulfonamide
CID 133165105
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-fluorobenzenesulfonamide
CID 18141997
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-bromobenzenesulfonamide
CID 51307602
6-[(1R)-1-(sulfamoylamino)ethyl]-2,3-dihydro-1,4-benzodioxine
CID 95135138
N-[(1S)-1-phenylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846846
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]ethanesulfonamide
CID 107651412
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4-difluorobenzenesulfonamide
CID 9356151
3-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propane-1-sulfonamide
CID 60959785
2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 4827426
4-cyano-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 9356188
1-(2,4-dichlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]methanesulfonamide
CID 133230322

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide (CID 9356180) is 2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccccc1Cl)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
The InChIKey is CNGVEXWUMGWDEL-LLVKDONJSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-11(12-6-7-14-15(10-12)22-9-8-21-14)18-23(19,20)16-5-3-2-4-13(16)17/h2-7,10-11,18H,8-9H2,1H3/t11-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide?
2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide has a molecular weight of 353.83 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 9356180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).