N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C16H16ClNO6S — CID 7938312

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl
InChIInChI=1S/C16H16ClNO6S/c1-21-14-9-15(22-2)12(8-11(14)17)18-25(19,20)10-3-4-13-16(7-10)24-6-5-23-13/h3-4,7-9,18H,5-6H2,1-2H3
InChIKeyWCZGYNSFVXMSAO-UHFFFAOYSA-N
MW385.83 g/mol
LogP2.93
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 7938312) has the molecular formula C16H16ClNO6S and a molecular weight of 385.83 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID7938312
Molecular FormulaC16H16ClNO6S
Molecular Weight385.83 g/mol
Exact Mass385.04
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCOc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl
InChIInChI=1S/C16H16ClNO6S/c1-21-14-9-15(22-2)12(8-11(14)17)18-25(19,20)10-3-4-13-16(7-10)24-6-5-23-13/h3-4,7-9,18H,5-6H2,1-2H3
InChIKeyWCZGYNSFVXMSAO-UHFFFAOYSA-N
XLogP2.93
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 6499996
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899
N-(5-chloro-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7510365
N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 141414508
N-(5-chloro-2,4-dimethoxyphenyl)-4-(dimethylamino)benzenesulfonamide
CID 167884327
N-(2,3-dichlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1090608
N-(4-methoxy-3-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776444
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 7602669
methyl 2-chloro-5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 1090640
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-benzodioxole-5-sulfonamide
CID 110778061
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 7938312) is N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is COc1cc(OC)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is WCZGYNSFVXMSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO6S/c1-21-14-9-15(22-2)12(8-11(14)17)18-25(19,20)10-3-4-13-16(7-10)24-6-5-23-13/h3-4,7-9,18H,5-6H2,1-2H3.
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 385.83 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 7938312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).