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

C14H11Cl2NO4S — CID 1090608

IUPACN-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H11Cl2NO4S/c15-10-2-1-3-11(14(10)16)17-22(18,19)9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8,17H,6-7H2
InChIKeyCNQKKHWNTODQGE-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.57
Rot. Bonds3

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

N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 1090608) has the molecular formula C14H11Cl2NO4S and a molecular weight of 360.22 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID1090608
Molecular FormulaC14H11Cl2NO4S
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC NameN-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2
InChIInChI=1S/C14H11Cl2NO4S/c15-10-2-1-3-11(14(10)16)17-22(18,19)9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8,17H,6-7H2
InChIKeyCNQKKHWNTODQGE-UHFFFAOYSA-N
XLogP3.57
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-7-sulfonamide
CID 15951276
N-(3-chloro-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 103943863
N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148581
N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7938312
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1334565
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2444334
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1076433
N-(2,5-difluorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 8500598
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
CID 110778061
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899
N-(3-chloro-2-methylphenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 22518919
N-(2,3-dichlorophenyl)-3,5-difluorobenzenesulfonamide
CID 92510677

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 1090608) is N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is CNQKKHWNTODQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4S/c15-10-2-1-3-11(14(10)16)17-22(18,19)9-4-5-12-13(8-9)21-7-6-20-12/h1-5,8,17H,6-7H2.
What are the key properties of N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 360.22 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 1090608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).