6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride

C13H18Cl2N2O4S — CID 119960718

IUPAC6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNCC1)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C13H17ClN2O4S.ClH/c14-10-7-11-12(20-6-5-19-11)8-13(10)21(17,18)16-9-1-3-15-4-2-9;/h7-9,15-16H,1-6H2;1H
InChIKeyZDLNHRHWRIHYRR-UHFFFAOYSA-N
MW369.27 g/mol
LogP1.56
Rot. Bonds3

About 6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride

6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride (PubChem CID 119960718) has the molecular formula C13H18Cl2N2O4S and a molecular weight of 369.27 g/mol. Its IUPAC name is 6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
PubChem CID119960718
Molecular FormulaC13H18Cl2N2O4S
Molecular Weight369.27 g/mol
Exact Mass368.04
IUPAC Name6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCNCC1)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C13H17ClN2O4S.ClH/c14-10-7-11-12(20-6-5-19-11)8-13(10)21(17,18)16-9-1-3-15-4-2-9;/h7-9,15-16H,1-6H2;1H
InChIKeyZDLNHRHWRIHYRR-UHFFFAOYSA-N
XLogP1.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride with MolForge

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Related Compounds

6-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874460
5-bromo-2,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 120706363
2-chloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960748
2-chloro-5-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 115752112
5-bromo-2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 119960783
2-chloro-5-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960534
2-chloro-N-piperidin-4-ylbenzenesulfonamide
CID 28811083
4-chloro-N-piperidin-4-ylnaphthalene-1-sulfonamide;hydrochloride
CID 119960548
N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120585133
2,6-dichloro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960503
2-chloro-N-piperidin-4-yl-5-propylbenzenesulfonamide
CID 120998895
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?
The IUPAC name of 6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride (CID 119960718) is 6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride.
What is the SMILES notation for 6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?
The canonical SMILES for 6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCNCC1)c1cc2c(cc1Cl)OCCO2.
What is the InChIKey of 6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?
The InChIKey is ZDLNHRHWRIHYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4S.ClH/c14-10-7-11-12(20-6-5-19-11)8-13(10)21(17,18)16-9-1-3-15-4-2-9;/h7-9,15-16H,1-6H2;1H.
What are the key properties of 6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride?
6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride has a molecular weight of 369.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-piperidin-4-yl-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride is sourced from PubChem (CID 119960718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).