N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C13H11ClN2O4S — CID 103943863

IUPACN-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1ncccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H11ClN2O4S/c14-10-2-1-5-15-13(10)16-21(17,18)9-3-4-11-12(8-9)20-7-6-19-11/h1-5,8H,6-7H2,(H,15,16)
InChIKeyGCCLSVOUFRQEGT-UHFFFAOYSA-N
MW326.76 g/mol
LogP2.31
Rot. Bonds3

About N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 103943863) has the molecular formula C13H11ClN2O4S and a molecular weight of 326.76 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID103943863
Molecular FormulaC13H11ClN2O4S
Molecular Weight326.76 g/mol
Exact Mass326.01
IUPAC NameN-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1ncccc1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C13H11ClN2O4S/c14-10-2-1-5-15-13(10)16-21(17,18)9-3-4-11-12(8-9)20-7-6-19-11/h1-5,8H,6-7H2,(H,15,16)
InChIKeyGCCLSVOUFRQEGT-UHFFFAOYSA-N
XLogP2.31
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.76
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1090608
4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1334565
3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 103943880
N-(3-chloro-2-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 103094687
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-methyl-2-pyridinyl)benzamide
CID 35033379
4-(2-chloroethyl)-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103943864
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 91968299
methyl 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 1090640
N-(4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1102354
3-chloro-2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azetidin-3-yl]oxypyridine
CID 122248138
N-(6-bromo-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43520660

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 103943863) is N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(Nc1ncccc1Cl)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is GCCLSVOUFRQEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O4S/c14-10-2-1-5-15-13(10)16-21(17,18)9-3-4-11-12(8-9)20-7-6-19-11/h1-5,8H,6-7H2,(H,15,16).
What are the key properties of N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 326.76 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 103943863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).