5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

C16H15ClN2O6S — CID 55471495

IUPAC5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C16H15ClN2O6S/c1-23-13-3-2-10(26(18,21)22)8-12(13)19-16(20)9-6-11(17)15-14(7-9)24-4-5-25-15/h2-3,6-8H,4-5H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyJPMZKEUKCFYPAP-UHFFFAOYSA-N
MW398.82 g/mol
LogP2.02
Rot. Bonds4

About 5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide (PubChem CID 55471495) has the molecular formula C16H15ClN2O6S and a molecular weight of 398.82 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
PubChem CID55471495
Molecular FormulaC16H15ClN2O6S
Molecular Weight398.82 g/mol
Exact Mass398.03
IUPAC Name5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
SMILESCOc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(Cl)c2c(c1)OCCO2
InChIInChI=1S/C16H15ClN2O6S/c1-23-13-3-2-10(26(18,21)22)8-12(13)19-16(20)9-6-11(17)15-14(7-9)24-4-5-25-15/h2-3,6-8H,4-5H2,1H3,(H,19,20)(H2,18,21,22)
InChIKeyJPMZKEUKCFYPAP-UHFFFAOYSA-N
XLogP2.02
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.82
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 8777203
N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 2985802
N-(2-methoxy-5-sulfamoylphenyl)furan-3-carboxamide
CID 47129641
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 33178495
N-(2-methoxy-5-sulfamoylphenyl)pyridazine-4-carboxamide
CID 115742519
N-(3-acetamido-4-methoxyphenyl)-7-chloro-1,3-benzodioxole-5-carboxamide
CID 24668298
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
5-chloro-N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17436108
5-chloro-N-(2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 30236034
(E)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]prop-2-enamide
CID 16562986
5-chloro-N-[2-(2-methylpropoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55888566
5-chloro-2,3-dihydro-1,4-benzodioxine-7-carbohydrazide
CID 43236687

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The IUPAC name of 5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide (CID 55471495) is 5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide is COc1ccc(S(N)(=O)=O)cc1NC(=O)c1cc(Cl)c2c(c1)OCCO2.
What is the InChIKey of 5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
The InChIKey is JPMZKEUKCFYPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O6S/c1-23-13-3-2-10(26(18,21)22)8-12(13)19-16(20)9-6-11(17)15-14(7-9)24-4-5-25-15/h2-3,6-8H,4-5H2,1H3,(H,19,20)(H2,18,21,22).
What are the key properties of 5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide?
5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide has a molecular weight of 398.82 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxy-5-sulfamoylphenyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide is sourced from PubChem (CID 55471495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).