5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol

C11H12Cl2N2O3S — CID 145365471

IUPAC5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol
SMILESCNc1sc2c(Cl)c(O)c(Cl)cc2c1C(N)=O.CO
InChIInChI=1S/C10H8Cl2N2O2S.CH4O/c1-14-10-5(9(13)16)3-2-4(11)7(15)6(12)8(3)17-10;1-2/h2,14-15H,1H3,(H2,13,16);2H,1H3
InChIKeyNWAYGPRJVIHTPM-UHFFFAOYSA-N
MW323.20 g/mol
LogP2.66
Rot. Bonds2

About 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol

5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol (PubChem CID 145365471) has the molecular formula C11H12Cl2N2O3S and a molecular weight of 323.20 g/mol. Its IUPAC name is 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol.

Molecular Properties

Compound Name5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol
PubChem CID145365471
Molecular FormulaC11H12Cl2N2O3S
Molecular Weight323.20 g/mol
Exact Mass321.99
IUPAC Name5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol
SMILESCNc1sc2c(Cl)c(O)c(Cl)cc2c1C(N)=O.CO
InChIInChI=1S/C10H8Cl2N2O2S.CH4O/c1-14-10-5(9(13)16)3-2-4(11)7(15)6(12)8(3)17-10;1-2/h2,14-15H,1H3,(H2,13,16);2H,1H3
InChIKeyNWAYGPRJVIHTPM-UHFFFAOYSA-N
XLogP2.66
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol?
The IUPAC name of 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol (CID 145365471) is 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol.
What is the SMILES notation for 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol?
The canonical SMILES for 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol is CNc1sc2c(Cl)c(O)c(Cl)cc2c1C(N)=O.CO.
What is the InChIKey of 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol?
The InChIKey is NWAYGPRJVIHTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2S.CH4O/c1-14-10-5(9(13)16)3-2-4(11)7(15)6(12)8(3)17-10;1-2/h2,14-15H,1H3,(H2,13,16);2H,1H3.
What are the key properties of 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol?
5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol has a molecular weight of 323.20 g/mol, XLogP of 2.66, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-6-hydroxy-2-(methylamino)-1-benzothiophene-3-carboxamide;methanol is sourced from PubChem (CID 145365471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).