N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide

C17H17NO5S — CID 110705679

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H17NO5S/c19-24(20,14-4-6-15-12(10-14)2-1-7-21-15)18-13-3-5-16-17(11-13)23-9-8-22-16/h3-6,10-11,18H,1-2,7-9H2
InChIKeyWQCXZCNAVFNEMT-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.58
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide (PubChem CID 110705679) has the molecular formula C17H17NO5S and a molecular weight of 347.39 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
PubChem CID110705679
Molecular FormulaC17H17NO5S
Molecular Weight347.39 g/mol
Exact Mass347.08
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H17NO5S/c19-24(20,14-4-6-15-12(10-14)2-1-7-21-15)18-13-3-5-16-17(11-13)23-9-8-22-16/h3-6,10-11,18H,1-2,7-9H2
InChIKeyWQCXZCNAVFNEMT-UHFFFAOYSA-N
XLogP2.58
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
N-(4-methylphenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705643
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-(1,3-benzodioxol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 4827704
N-(3,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 44623892
N-(4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1102354
N-(3,4-dihydro-2H-chromen-6-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110726232
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide
CID 7516335
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705681
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1334565

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide (CID 110705679) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)CCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide?
The InChIKey is WQCXZCNAVFNEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5S/c19-24(20,14-4-6-15-12(10-14)2-1-7-21-15)18-13-3-5-16-17(11-13)23-9-8-22-16/h3-6,10-11,18H,1-2,7-9H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide has a molecular weight of 347.39 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydro-2H-chromene-6-sulfonamide is sourced from PubChem (CID 110705679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).