N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide

C22H15BrN2O4S4 — CID 11505180

IUPACN-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1NS(=O)(=O)c1cc2ccccc2s1)c1cc2ccccc2s1
InChIInChI=1S/C22H15BrN2O4S4/c23-16-9-10-17(24-32(26,27)21-11-14-5-1-3-7-19(14)30-21)18(13-16)25-33(28,29)22-12-15-6-2-4-8-20(15)31-22/h1-13,24-25H
InChIKeyKWWQLKCQXIVZNJ-UHFFFAOYSA-N
MW579.54 g/mol
LogP6.48
Rot. Bonds6

About N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide

N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide (PubChem CID 11505180) has the molecular formula C22H15BrN2O4S4 and a molecular weight of 579.54 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide
PubChem CID11505180
Molecular FormulaC22H15BrN2O4S4
Molecular Weight579.54 g/mol
Exact Mass577.91
IUPAC NameN-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cc1NS(=O)(=O)c1cc2ccccc2s1)c1cc2ccccc2s1
InChIInChI=1S/C22H15BrN2O4S4/c23-16-9-10-17(24-32(26,27)21-11-14-5-1-3-7-19(14)30-21)18(13-16)25-33(28,29)22-12-15-6-2-4-8-20(15)31-22/h1-13,24-25H
InChIKeyKWWQLKCQXIVZNJ-UHFFFAOYSA-N
XLogP6.48
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.54
LogP ≤ 56.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide?
The IUPAC name of N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide (CID 11505180) is N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide is O=S(=O)(Nc1ccc(Br)cc1NS(=O)(=O)c1cc2ccccc2s1)c1cc2ccccc2s1.
What is the InChIKey of N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide?
The InChIKey is KWWQLKCQXIVZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O4S4/c23-16-9-10-17(24-32(26,27)21-11-14-5-1-3-7-19(14)30-21)18(13-16)25-33(28,29)22-12-15-6-2-4-8-20(15)31-22/h1-13,24-25H.
What are the key properties of N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide?
N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide has a molecular weight of 579.54 g/mol, XLogP of 6.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-bromophenyl]-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 11505180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).