5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide

C12H10BrNO4S3 — CID 2823625

IUPAC5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide
SMILESO=S1(=O)Cc2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2C1
InChIInChI=1S/C12H10BrNO4S3/c13-11-3-4-12(19-11)21(17,18)14-10-2-1-8-6-20(15,16)7-9(8)5-10/h1-5,14H,6-7H2
InChIKeyJYINECCFZJYJQK-UHFFFAOYSA-N
MW408.32 g/mol
LogP2.74
Rot. Bonds3

About 5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide

5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide (PubChem CID 2823625) has the molecular formula C12H10BrNO4S3 and a molecular weight of 408.32 g/mol. Its IUPAC name is 5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide
PubChem CID2823625
Molecular FormulaC12H10BrNO4S3
Molecular Weight408.32 g/mol
Exact Mass406.90
IUPAC Name5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide
SMILESO=S1(=O)Cc2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2C1
InChIInChI=1S/C12H10BrNO4S3/c13-11-3-4-12(19-11)21(17,18)14-10-2-1-8-6-20(15,16)7-9(8)5-10/h1-5,14H,6-7H2
InChIKeyJYINECCFZJYJQK-UHFFFAOYSA-N
XLogP2.74
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide (CID 2823625) is 5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide is O=S1(=O)Cc2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2C1.
What is the InChIKey of 5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide?
The InChIKey is JYINECCFZJYJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO4S3/c13-11-3-4-12(19-11)21(17,18)14-10-2-1-8-6-20(15,16)7-9(8)5-10/h1-5,14H,6-7H2.
What are the key properties of 5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide?
5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide has a molecular weight of 408.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 2823625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).