N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide

C19H21BrN2O5S — CID 29472703

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)cc1
InChIInChI=1S/C19H21BrN2O5S/c1-19(2,3)22-28(24,25)13-6-4-12(5-7-13)18(23)21-15-11-17-16(10-14(15)20)26-8-9-27-17/h4-7,10-11,22H,8-9H2,1-3H3,(H,21,23)
InChIKeyXGXVGAWCZSIWLJ-UHFFFAOYSA-N
MW469.36 g/mol
LogP3.55
Rot. Bonds4

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide (PubChem CID 29472703) has the molecular formula C19H21BrN2O5S and a molecular weight of 469.36 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide
PubChem CID29472703
Molecular FormulaC19H21BrN2O5S
Molecular Weight469.36 g/mol
Exact Mass468.04
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)cc1
InChIInChI=1S/C19H21BrN2O5S/c1-19(2,3)22-28(24,25)13-6-4-12(5-7-13)18(23)21-15-11-17-16(10-14(15)20)26-8-9-27-17/h4-7,10-11,22H,8-9H2,1-3H3,(H,21,23)
InChIKeyXGXVGAWCZSIWLJ-UHFFFAOYSA-N
XLogP3.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.36
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)-4-(tert-butylsulfamoyl)benzamide
CID 119618127
4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 29411178
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 17499645
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-prop-2-enoxybenzamide
CID 37352396
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(dimethylamino)-3-nitrobenzamide
CID 34547747
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 26964948
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 18081378
4-(tert-butylsulfamoyl)-N-[2-(morpholin-4-ylmethyl)phenyl]benzamide
CID 55900084
4-(tert-butylsulfamoyl)-N-(2,6-dimethylphenyl)benzamide
CID 51310180
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-N-(3-methylphenyl)benzamide
CID 55499981
2-[[4-(tert-butylsulfamoyl)benzoyl]amino]-4,5-dimethoxybenzamide
CID 47085140
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzamide
CID 26902934

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide (CID 29472703) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide is CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2Br)OCCO3)cc1.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide?
The InChIKey is XGXVGAWCZSIWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O5S/c1-19(2,3)22-28(24,25)13-6-4-12(5-7-13)18(23)21-15-11-17-16(10-14(15)20)26-8-9-27-17/h4-7,10-11,22H,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide has a molecular weight of 469.36 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide is sourced from PubChem (CID 29472703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).