3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid

C15H12N2O6S4 — CID 4684737

IUPAC3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H12N2O6S4/c18-15(19)10-7-11(16-26(20,21)13-3-1-5-24-13)9-12(8-10)17-27(22,23)14-4-2-6-25-14/h1-9,16-17H,(H,18,19)
InChIKeyYMKWCYZZDNTRNS-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.11
Rot. Bonds7

About 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid

3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid (PubChem CID 4684737) has the molecular formula C15H12N2O6S4 and a molecular weight of 444.54 g/mol. Its IUPAC name is 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid.

Molecular Properties

Compound Name3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid
PubChem CID4684737
Molecular FormulaC15H12N2O6S4
Molecular Weight444.54 g/mol
Exact Mass443.96
IUPAC Name3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C15H12N2O6S4/c18-15(19)10-7-11(16-26(20,21)13-3-1-5-24-13)9-12(8-10)17-27(22,23)14-4-2-6-25-14/h1-9,16-17H,(H,18,19)
InChIKeyYMKWCYZZDNTRNS-UHFFFAOYSA-N
XLogP3.11
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid?
The IUPAC name of 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid (CID 4684737) is 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid.
What is the SMILES notation for 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid?
The canonical SMILES for 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid is O=C(O)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid?
The InChIKey is YMKWCYZZDNTRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6S4/c18-15(19)10-7-11(16-26(20,21)13-3-1-5-24-13)9-12(8-10)17-27(22,23)14-4-2-6-25-14/h1-9,16-17H,(H,18,19).
What are the key properties of 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid?
3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid has a molecular weight of 444.54 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(thiophen-2-ylsulfonylamino)benzoic acid is sourced from PubChem (CID 4684737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).