5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide

C15H10Cl2N2O3S2 — CID 59334919

IUPAC5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1csc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc12
InChIInChI=1S/C15H10Cl2N2O3S2/c16-8-3-9(17)5-11(4-8)24(21,22)19-10-1-2-14-12(6-10)13(7-23-14)15(18)20/h1-7,19H,(H2,18,20)
InChIKeyOZZBPOMHSGZIDU-UHFFFAOYSA-N
MW401.30 g/mol
LogP4.11
Rot. Bonds4

About 5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide

5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide (PubChem CID 59334919) has the molecular formula C15H10Cl2N2O3S2 and a molecular weight of 401.30 g/mol. Its IUPAC name is 5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide
PubChem CID59334919
Molecular FormulaC15H10Cl2N2O3S2
Molecular Weight401.30 g/mol
Exact Mass399.95
IUPAC Name5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide
SMILESNC(=O)c1csc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc12
InChIInChI=1S/C15H10Cl2N2O3S2/c16-8-3-9(17)5-11(4-8)24(21,22)19-10-1-2-14-12(6-10)13(7-23-14)15(18)20/h1-7,19H,(H2,18,20)
InChIKeyOZZBPOMHSGZIDU-UHFFFAOYSA-N
XLogP4.11
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.30
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide?
The IUPAC name of 5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide (CID 59334919) is 5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide?
The canonical SMILES for 5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide is NC(=O)c1csc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc12.
What is the InChIKey of 5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide?
The InChIKey is OZZBPOMHSGZIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O3S2/c16-8-3-9(17)5-11(4-8)24(21,22)19-10-1-2-14-12(6-10)13(7-23-14)15(18)20/h1-7,19H,(H2,18,20).
What are the key properties of 5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide?
5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide has a molecular weight of 401.30 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichlorophenyl)sulfonylamino]-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 59334919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).