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

C23H18N2O5S4 — CID 11577357

IUPACN-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc3ccccc3s2)c(NS(=O)(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C23H18N2O5S4/c1-30-17-10-11-18(24-33(26,27)22-12-15-6-2-4-8-20(15)31-22)19(14-17)25-34(28,29)23-13-16-7-3-5-9-21(16)32-23/h2-14,24-25H,1H3
InChIKeyLQKWZEMEFNRWIG-UHFFFAOYSA-N
MW530.67 g/mol
LogP5.73
Rot. Bonds7

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

N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide (PubChem CID 11577357) has the molecular formula C23H18N2O5S4 and a molecular weight of 530.67 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide
PubChem CID11577357
Molecular FormulaC23H18N2O5S4
Molecular Weight530.67 g/mol
Exact Mass530.01
IUPAC NameN-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc3ccccc3s2)c(NS(=O)(=O)c2cc3ccccc3s2)c1
InChIInChI=1S/C23H18N2O5S4/c1-30-17-10-11-18(24-33(26,27)22-12-15-6-2-4-8-20(15)31-22)19(14-17)25-34(28,29)23-13-16-7-3-5-9-21(16)32-23/h2-14,24-25H,1H3
InChIKeyLQKWZEMEFNRWIG-UHFFFAOYSA-N
XLogP5.73
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide?
The IUPAC name of N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide (CID 11577357) is N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2cc3ccccc3s2)c(NS(=O)(=O)c2cc3ccccc3s2)c1.
What is the InChIKey of N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide?
The InChIKey is LQKWZEMEFNRWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5S4/c1-30-17-10-11-18(24-33(26,27)22-12-15-6-2-4-8-20(15)31-22)19(14-17)25-34(28,29)23-13-16-7-3-5-9-21(16)32-23/h2-14,24-25H,1H3.
What are the key properties of N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide?
N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide has a molecular weight of 530.67 g/mol, XLogP of 5.73, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-ylsulfonylamino)-4-methoxyphenyl]-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 11577357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).