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

C12H10BrNO4S2 — CID 1296568

IUPAC5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(Br)s1
InChIInChI=1S/C12H10BrNO4S2/c13-11-3-4-12(19-11)20(15,16)14-8-1-2-9-10(7-8)18-6-5-17-9/h1-4,7,14H,5-6H2
InChIKeyYHLDYPWYBULXKO-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.08
Rot. Bonds3

About 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide

5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide (PubChem CID 1296568) has the molecular formula C12H10BrNO4S2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
PubChem CID1296568
Molecular FormulaC12H10BrNO4S2
Molecular Weight376.25 g/mol
Exact Mass374.92
IUPAC Name5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(Br)s1
InChIInChI=1S/C12H10BrNO4S2/c13-11-3-4-12(19-11)20(15,16)14-8-1-2-9-10(7-8)18-6-5-17-9/h1-4,7,14H,5-6H2
InChIKeyYHLDYPWYBULXKO-UHFFFAOYSA-N
XLogP3.08
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthiophene-2-sulfonamide
CID 79912736
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 3586341
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 43332813
5-bromo-N-[4-(methanesulfonamido)phenyl]thiophene-2-sulfonamide
CID 31073677
N-(4-aminophenyl)-5-bromothiophene-2-sulfonamide
CID 43166676
N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 2788662
5-bromo-N-(3-fluoro-4-methylphenyl)thiophene-2-sulfonamide
CID 8501268
5-bromo-N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3818227
5-bromo-N-(3-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 64782203
1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 83092877
5-bromo-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiophene-2-sulfonamide
CID 126136963
N-(1,3-benzodioxol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758954

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide (CID 1296568) is 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
The InChIKey is YHLDYPWYBULXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO4S2/c13-11-3-4-12(19-11)20(15,16)14-8-1-2-9-10(7-8)18-6-5-17-9/h1-4,7,14H,5-6H2.
What are the key properties of 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide?
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide has a molecular weight of 376.25 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 1296568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).