N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide

C18H19ClN2O6S — CID 34276394

IUPACN-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1
InChIInChI=1S/C18H19ClN2O6S/c1-21(25-2)28(23,24)13-6-3-5-12(9-13)18(22)20-15-11-17-16(10-14(15)19)26-7-4-8-27-17/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,20,22)
InChIKeyZEUQFRSMJJJSKL-UHFFFAOYSA-N
MW426.88 g/mol
LogP2.94
Rot. Bonds5

About N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide

N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide (PubChem CID 34276394) has the molecular formula C18H19ClN2O6S and a molecular weight of 426.88 g/mol. Its IUPAC name is N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
PubChem CID34276394
Molecular FormulaC18H19ClN2O6S
Molecular Weight426.88 g/mol
Exact Mass426.07
IUPAC NameN-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
SMILESCON(C)S(=O)(=O)c1cccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1
InChIInChI=1S/C18H19ClN2O6S/c1-21(25-2)28(23,24)13-6-3-5-12(9-13)18(22)20-15-11-17-16(10-14(15)19)26-7-4-8-27-17/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,20,22)
InChIKeyZEUQFRSMJJJSKL-UHFFFAOYSA-N
XLogP2.94
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-fluorophenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 51204944
N-(1,3-benzodioxol-5-yl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9191609
3-[methoxy(methyl)sulfamoyl]-N-(2,3,4-trifluorophenyl)benzamide
CID 18197948
N-(4,5-dimethoxy-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18198075
N-(5-fluoro-2-methylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9208555
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-(diethylsulfamoyl)-4-fluorobenzamide
CID 34272039
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-iodobenzamide
CID 34271644
N-(2,6-diethylphenyl)-3-[methoxy(methyl)sulfamoyl]benzamide
CID 18197987
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 9193334
3-[methoxy(methyl)sulfamoyl]-N-(2-methyl-3-nitrophenyl)benzamide
CID 9270787
3-[methoxy(methyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 51250979
2-[[3-[methoxy(methyl)sulfamoyl]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 34731063

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The IUPAC name of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide (CID 34276394) is N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The canonical SMILES for N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide is CON(C)S(=O)(=O)c1cccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1.
What is the InChIKey of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
The InChIKey is ZEUQFRSMJJJSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O6S/c1-21(25-2)28(23,24)13-6-3-5-12(9-13)18(22)20-15-11-17-16(10-14(15)19)26-7-4-8-27-17/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,20,22).
What are the key properties of N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide?
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide has a molecular weight of 426.88 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[methoxy(methyl)sulfamoyl]benzamide is sourced from PubChem (CID 34276394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).