2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide

C11H10N4O4S2 — CID 90791952

IUPAC2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(N)=O)c1NS(=O)(=O)c1cscn1
InChIInChI=1S/C11H10N4O4S2/c12-10(16)6-2-1-3-7(11(13)17)9(6)15-21(18,19)8-4-20-5-14-8/h1-5,15H,(H2,12,16)(H2,13,17)
InChIKeyJALGWBVSXNDKQC-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.14
Rot. Bonds5

About 2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide

2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide (PubChem CID 90791952) has the molecular formula C11H10N4O4S2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide
PubChem CID90791952
Molecular FormulaC11H10N4O4S2
Molecular Weight326.36 g/mol
Exact Mass326.01
IUPAC Name2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide
SMILESNC(=O)c1cccc(C(N)=O)c1NS(=O)(=O)c1cscn1
InChIInChI=1S/C11H10N4O4S2/c12-10(16)6-2-1-3-7(11(13)17)9(6)15-21(18,19)8-4-20-5-14-8/h1-5,15H,(H2,12,16)(H2,13,17)
InChIKeyJALGWBVSXNDKQC-UHFFFAOYSA-N
XLogP0.14
TPSA145.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide?
The IUPAC name of 2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide (CID 90791952) is 2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide?
The canonical SMILES for 2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(N)=O)c1NS(=O)(=O)c1cscn1.
What is the InChIKey of 2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide?
The InChIKey is JALGWBVSXNDKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4S2/c12-10(16)6-2-1-3-7(11(13)17)9(6)15-21(18,19)8-4-20-5-14-8/h1-5,15H,(H2,12,16)(H2,13,17).
What are the key properties of 2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide?
2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide has a molecular weight of 326.36 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazol-4-ylsulfonylamino)benzene-1,3-dicarboxamide is sourced from PubChem (CID 90791952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).