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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Related Compounds

3-(Thiophene-2-sulfonamido)benzoic acid
CID 800088
4-(Thiophene-2-sulfonamido)benzoic acid
CID 873172
Methyl 3,5-bis(thiophene-2-sulfonamido)benzoate
CID 2369016
3-[(4-Carboxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 11244305
5-{[3-(Methoxymethyl)phenyl]sulfamoyl}thiophene-3-carboxylic acid
CID 33821789
5-(Methylsulfonamido)benzo[b]thiophene-2-carboxylic acid
CID 44754709
3,5-Bis-[(thiophene-2-carbonyl)-amino]-benzoic acid
CID 2058193
5-Phenyl-4-(toluene-2-sulfonylamino)-thiophene-2-carboxylic acid
CID 3008419
5-[(3-Ethylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 43314463
5-[(3-Acetylphenyl)sulfamoyl]-3-methylthiophene-2-carboxylic acid
CID 53510056
3-[(5-Ethylthiophen-2-yl)sulfonylamino]-4-fluorobenzoic acid
CID 53535832
5-[(5-Ethylthiophen-2-yl)sulfonylamino]-2,4-difluorobenzoic acid
CID 56816757

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).