4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide

C19H21ClN2O5S — CID 71151710

IUPAC4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CN(CCOc2cccc3c2OCCO3)C1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O5S/c20-14-4-6-16(7-5-14)28(23,24)21-15-12-22(13-15)8-9-25-17-2-1-3-18-19(17)27-11-10-26-18/h1-7,15,21H,8-13H2
InChIKeyUBPDMQCYRQZKCX-UHFFFAOYSA-N
MW424.91 g/mol
LogP2.15
Rot. Bonds7

About 4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide

4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide (PubChem CID 71151710) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is 4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide
PubChem CID71151710
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC Name4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CN(CCOc2cccc3c2OCCO3)C1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O5S/c20-14-4-6-16(7-5-14)28(23,24)21-15-12-22(13-15)8-9-25-17-2-1-3-18-19(17)27-11-10-26-18/h1-7,15,21H,8-13H2
InChIKeyUBPDMQCYRQZKCX-UHFFFAOYSA-N
XLogP2.15
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]-3-methylbenzenesulfonamide
CID 71151728
4-chloro-N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethylamino]methyl]phenyl]benzenesulfonamide
CID 71738778
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl methanesulfonate
CID 87870295
N-[[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]pyrrolidin-3-yl]methyl]-2,5-dimethylthiophene-3-sulfonamide
CID 71151397
N-[1-[2-(2,3,7,8-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]naphthalene-2-sulfonamide
CID 140641191
3-fluoro-N-[1-[2-(2,3,7,8-tetrahydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide
CID 140641197
N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethylamino]methyl]phenyl]-4-fluorobenzenesulfonamide
CID 71738733
2-[3-(2,3-dihydro-1,4-benzodioxin-5-yloxy)propyl]isoindole-1,3-dione
CID 70118493
4-chloro-N-[1-(3-methylbutyl)piperidin-4-yl]benzenesulfonamide
CID 60605262
4-fluoro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 71456782
N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethylamino]methyl]phenyl]-4-iodobenzenesulfonamide
CID 71738526
N-(azetidin-3-yl)-4-chlorobenzenesulfonamide
CID 66187951

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide (CID 71151710) is 4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide is O=S(=O)(NC1CN(CCOc2cccc3c2OCCO3)C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide?
The InChIKey is UBPDMQCYRQZKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c20-14-4-6-16(7-5-14)28(23,24)21-15-12-22(13-15)8-9-25-17-2-1-3-18-19(17)27-11-10-26-18/h1-7,15,21H,8-13H2.
What are the key properties of 4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide?
4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide has a molecular weight of 424.91 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl]azetidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 71151710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).