4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid

C17H11ClFNO6S2 — CID 56595950

IUPAC4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cc(-c3ccc(O)c(F)c3)c(Cl)s2)cc1O
InChIInChI=1S/C17H11ClFNO6S2/c18-16-11(8-1-4-13(21)12(19)5-8)7-15(27-16)28(25,26)20-9-2-3-10(17(23)24)14(22)6-9/h1-7,20-22H,(H,23,24)
InChIKeyWOAZEACNYNRGOH-UHFFFAOYSA-N
MW443.86 g/mol
LogP4.12
Rot. Bonds5

About 4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid

4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 56595950) has the molecular formula C17H11ClFNO6S2 and a molecular weight of 443.86 g/mol. Its IUPAC name is 4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid
PubChem CID56595950
Molecular FormulaC17H11ClFNO6S2
Molecular Weight443.86 g/mol
Exact Mass442.97
IUPAC Name4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cc(-c3ccc(O)c(F)c3)c(Cl)s2)cc1O
InChIInChI=1S/C17H11ClFNO6S2/c18-16-11(8-1-4-13(21)12(19)5-8)7-15(27-16)28(25,26)20-9-2-3-10(17(23)24)14(22)6-9/h1-7,20-22H,(H,23,24)
InChIKeyWOAZEACNYNRGOH-UHFFFAOYSA-N
XLogP4.12
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.86
LogP ≤ 54.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid with MolForge

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Related Compounds

4-[[5-chloro-4-(2,3-dihydro-1-benzofuran-5-yl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid
CID 56595949
2-[4-[[5-chloro-4-[3-(hydroxymethyl)phenyl]thiophen-2-yl]sulfonylamino]-2-hydroxybenzoyl]oxy-4-[[5-chloro-4-(4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]benzoic acid
CID 123739159
4-[(5-chloro-4-methylthiophen-2-yl)sulfonylamino]-2-methylbenzoic acid
CID 103099684
2,5-dichloro-N-(3-fluoro-4-hydroxyphenyl)thiophene-3-sulfonamide
CID 64781655
4-[(3,5-dichlorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 45330209
3-[[5-chloro-4-(2,5-difluorophenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid
CID 66799807
4-(chlorosulfonylamino)-2-hydroxybenzoic acid
CID 175169108
4-[[6-chloro-5-(3-fluorophenyl)-3-pyridinyl]sulfonylamino]-2-hydroxybenzoic acid
CID 56596353
4-[(4-acetamido-2-fluorophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 167825514
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-2-hydroxybenzoic acid
CID 167476238
5-bromo-N-(3-fluoro-4-hydroxyphenyl)thiophene-2-sulfonamide
CID 64782203
3-hydroxypropyl 4-[(4,5-dichlorothiophen-2-yl)sulfonylamino]-2-hydroxybenzoate
CID 71610810

Frequently Asked Questions

What is the IUPAC name of 4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid (CID 56595950) is 4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2cc(-c3ccc(O)c(F)c3)c(Cl)s2)cc1O.
What is the InChIKey of 4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is WOAZEACNYNRGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFNO6S2/c18-16-11(8-1-4-13(21)12(19)5-8)7-15(27-16)28(25,26)20-9-2-3-10(17(23)24)14(22)6-9/h1-7,20-22H,(H,23,24).
What are the key properties of 4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid?
4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 443.86 g/mol, XLogP of 4.12, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-4-(3-fluoro-4-hydroxyphenyl)thiophen-2-yl]sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 56595950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).