6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide

C16H17ClN2O4S — CID 46972338

IUPAC6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
SMILESCC(Cc1ccccn1)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C16H17ClN2O4S/c1-11(8-12-4-2-3-5-18-12)19-24(20,21)16-10-15-14(9-13(16)17)22-6-7-23-15/h2-5,9-11,19H,6-8H2,1H3
InChIKeyRZHIODHECWGSMC-UHFFFAOYSA-N
MW368.84 g/mol
LogP2.42
Rot. Bonds5

About 6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide

6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide (PubChem CID 46972338) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is 6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide.

Molecular Properties

Compound Name6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
PubChem CID46972338
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Name6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
SMILESCC(Cc1ccccn1)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2
InChIInChI=1S/C16H17ClN2O4S/c1-11(8-12-4-2-3-5-18-12)19-24(20,21)16-10-15-14(9-13(16)17)22-6-7-23-15/h2-5,9-11,19H,6-8H2,1H3
InChIKeyRZHIODHECWGSMC-UHFFFAOYSA-N
XLogP2.42
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

7-methyl-N-(pyridin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758903
N-(3-aminobutyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 119972671
N-(2-amino-2-phenylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 119976246
6-chloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 95850086
4-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]benzenesulfonamide
CID 51597397
N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120585133
2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 9356180
N-[(1R)-1-pyridin-2-ylethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 26943769
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-pyridin-2-ylethanamine
CID 62791202
1-(difluoromethyl)-3,5-dimethyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]pyrazole-4-sulfonamide
CID 51597908
N-(1-amino-2,4-dimethylpentan-2-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 119985285
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43195700

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
The IUPAC name of 6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide (CID 46972338) is 6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide.
What is the SMILES notation for 6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
The canonical SMILES for 6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide is CC(Cc1ccccn1)NS(=O)(=O)c1cc2c(cc1Cl)OCCO2.
What is the InChIKey of 6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
The InChIKey is RZHIODHECWGSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-11(8-12-4-2-3-5-18-12)19-24(20,21)16-10-15-14(9-13(16)17)22-6-7-23-15/h2-5,9-11,19H,6-8H2,1H3.
What are the key properties of 6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide has a molecular weight of 368.84 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-pyridin-2-ylpropan-2-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide is sourced from PubChem (CID 46972338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).