N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

C14H12ClN3O5S — CID 24650914

IUPACN'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cccnc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H12ClN3O5S/c15-13-12(2-1-5-16-13)24(20,21)18-17-14(19)9-3-4-10-11(8-9)23-7-6-22-10/h1-5,8,18H,6-7H2,(H,17,19)
InChIKeyISHSUQQRORAOCD-UHFFFAOYSA-N
MW369.79 g/mol
LogP1.13
Rot. Bonds4

About N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide

N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (PubChem CID 24650914) has the molecular formula C14H12ClN3O5S and a molecular weight of 369.79 g/mol. Its IUPAC name is N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.

Molecular Properties

Compound NameN'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
PubChem CID24650914
Molecular FormulaC14H12ClN3O5S
Molecular Weight369.79 g/mol
Exact Mass369.02
IUPAC NameN'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cccnc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H12ClN3O5S/c15-13-12(2-1-5-16-13)24(20,21)18-17-14(19)9-3-4-10-11(8-9)23-7-6-22-10/h1-5,8,18H,6-7H2,(H,17,19)
InChIKeyISHSUQQRORAOCD-UHFFFAOYSA-N
XLogP1.13
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.79
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dichlorophenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
CID 8523762
N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 18125877
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N'-[3-(tetrazol-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 47784702
N'-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 24563390
N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-phenoxypyridine-3-carbohydrazide
CID 51279505
N'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carbohydrazide
CID 47024237
2-chloro-N-(6-chloro-1,3-benzodioxol-5-yl)pyridine-3-sulfonamide
CID 60712774
N'-(2,4,6-trimethylphenyl)sulfonyl-1,3-benzodioxole-5-carbohydrazide
CID 17436088
3-[(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473259
N-[(3-hydroxy-2-pyridinyl)carbamothioyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 17099465
N'-(3,5-difluorobenzoyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 51275269

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The IUPAC name of N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide (CID 24650914) is N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide.
What is the SMILES notation for N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The canonical SMILES for N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is O=C(NNS(=O)(=O)c1cccnc1Cl)c1ccc2c(c1)OCCO2.
What is the InChIKey of N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
The InChIKey is ISHSUQQRORAOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O5S/c15-13-12(2-1-5-16-13)24(20,21)18-17-14(19)9-3-4-10-11(8-9)23-7-6-22-10/h1-5,8,18H,6-7H2,(H,17,19).
What are the key properties of N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide?
N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide has a molecular weight of 369.79 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chloro-3-pyridinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide is sourced from PubChem (CID 24650914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).