7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide

C15H12Cl2N2OS — CID 3585771

IUPAC7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCSc2cc(Cl)ccc21
InChIInChI=1S/C15H12Cl2N2OS/c16-10-2-1-3-12(8-10)18-15(20)19-6-7-21-14-9-11(17)4-5-13(14)19/h1-5,8-9H,6-7H2,(H,18,20)
InChIKeyXQAMKQUWTISIDE-UHFFFAOYSA-N
MW339.25 g/mol
LogP5.14
Rot. Bonds1

About 7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide

7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide (PubChem CID 3585771) has the molecular formula C15H12Cl2N2OS and a molecular weight of 339.25 g/mol. Its IUPAC name is 7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
PubChem CID3585771
Molecular FormulaC15H12Cl2N2OS
Molecular Weight339.25 g/mol
Exact Mass338.00
IUPAC Name7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCSc2cc(Cl)ccc21
InChIInChI=1S/C15H12Cl2N2OS/c16-10-2-1-3-12(8-10)18-15(20)19-6-7-21-14-9-11(17)4-5-13(14)19/h1-5,8-9H,6-7H2,(H,18,20)
InChIKeyXQAMKQUWTISIDE-UHFFFAOYSA-N
XLogP5.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.25
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The IUPAC name of 7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide (CID 3585771) is 7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide.
What is the SMILES notation for 7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The canonical SMILES for 7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCSc2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
The InChIKey is XQAMKQUWTISIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2OS/c16-10-2-1-3-12(8-10)18-15(20)19-6-7-21-14-9-11(17)4-5-13(14)19/h1-5,8-9H,6-7H2,(H,18,20).
What are the key properties of 7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide?
7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide has a molecular weight of 339.25 g/mol, XLogP of 5.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(3-chlorophenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide is sourced from PubChem (CID 3585771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).