N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide

C18H17NO6S — CID 56796436

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)C1COc2ccccc2C1
InChIInChI=1S/C18H17NO6S/c20-18(13-9-12-3-1-2-4-15(12)25-11-13)19-26(21,22)14-5-6-16-17(10-14)24-8-7-23-16/h1-6,10,13H,7-9,11H2,(H,19,20)
InChIKeyFICYDBDUPXROFI-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.51
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 56796436) has the molecular formula C18H17NO6S and a molecular weight of 375.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID56796436
Molecular FormulaC18H17NO6S
Molecular Weight375.40 g/mol
Exact Mass375.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)C1COc2ccccc2C1
InChIInChI=1S/C18H17NO6S/c20-18(13-9-12-3-1-2-4-15(12)25-11-13)19-26(21,22)14-5-6-16-17(10-14)24-8-7-23-16/h1-6,10,13H,7-9,11H2,(H,19,20)
InChIKeyFICYDBDUPXROFI-UHFFFAOYSA-N
XLogP1.51
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyanophenyl)sulfonyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 71940240
N-(3,4-dihydro-2H-chromen-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 110751552
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041080
N-[4-(propan-2-ylsulfamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134041063
N'-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)cyclopropanecarbohydrazide
CID 8523809
N-ethyl-3,4-dihydro-2H-chromene-3-carboxamide
CID 42891679
(3R)-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97072881
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)benzamide
CID 75403568
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
N-[4-(methanesulfonamido)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 134042695
3-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)but-2-enamide
CID 126802014
(3S)-3,4-dihydro-2H-chromene-3-carboxamide
CID 51885464

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide (CID 56796436) is N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide is O=C(NS(=O)(=O)c1ccc2c(c1)OCCO2)C1COc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is FICYDBDUPXROFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6S/c20-18(13-9-12-3-1-2-4-15(12)25-11-13)19-26(21,22)14-5-6-16-17(10-14)24-8-7-23-16/h1-6,10,13H,7-9,11H2,(H,19,20).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 375.40 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 56796436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).