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

C12H11NO4S2 — CID 713129

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccs1
InChIInChI=1S/C12H11NO4S2/c14-19(15,12-2-1-7-18-12)13-9-3-4-10-11(8-9)17-6-5-16-10/h1-4,7-8,13H,5-6H2
InChIKeyFUFDOFLEKZHCCC-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.32
Rot. Bonds3

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide (PubChem CID 713129) has the molecular formula C12H11NO4S2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
PubChem CID713129
Molecular FormulaC12H11NO4S2
Molecular Weight297.36 g/mol
Exact Mass297.01
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccs1
InChIInChI=1S/C12H11NO4S2/c14-19(15,12-2-1-7-18-12)13-9-3-4-10-11(8-9)17-6-5-16-10/h1-4,7-8,13H,5-6H2
InChIKeyFUFDOFLEKZHCCC-UHFFFAOYSA-N
XLogP2.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-fluorobenzenesulfonamide
CID 852233
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-difluorobenzenesulfonamide
CID 2376193
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxybenzenesulfonamide
CID 852232
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
CID 1296568
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzenesulfonamide
CID 730268
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2440523
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2-thienylsulfonyl)amino]acetamide
CID 3245300
N-(thien-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine hydrochloride
CID 15945345
4-{[(3,4-Dimethoxyphenyl)amino]sulfonyl}thiophene-2-carboxamide
CID 20900799
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,6-difluorobenzenesulfonamide
CID 2518528
2H,3H-benzo[e]1,4-dioxin-6-yl[(4-methylthiophenyl)sulfonyl]amine
CID 713221
N-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 1263332

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide (CID 713129) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccs1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
The InChIKey is FUFDOFLEKZHCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4S2/c14-19(15,12-2-1-7-18-12)13-9-3-4-10-11(8-9)17-6-5-16-10/h1-4,7-8,13H,5-6H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide has a molecular weight of 297.36 g/mol, XLogP of 2.32, 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)thiophene-2-sulfonamide is sourced from PubChem (CID 713129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).