4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid

C17H12ClNO5S2 — CID 56595896

IUPAC4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cc(-c3ccccc3)c(Cl)s2)cc1O
InChIInChI=1S/C17H12ClNO5S2/c18-16-13(10-4-2-1-3-5-10)9-15(25-16)26(23,24)19-11-6-7-12(17(21)22)14(20)8-11/h1-9,19-20H,(H,21,22)
InChIKeyOPUPTXSWSIRTDW-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.27
Rot. Bonds5

About 4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid

4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 56595896) has the molecular formula C17H12ClNO5S2 and a molecular weight of 409.87 g/mol. Its IUPAC name is 4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
PubChem CID56595896
Molecular FormulaC17H12ClNO5S2
Molecular Weight409.87 g/mol
Exact Mass408.98
IUPAC Name4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(NS(=O)(=O)c2cc(-c3ccccc3)c(Cl)s2)cc1O
InChIInChI=1S/C17H12ClNO5S2/c18-16-13(10-4-2-1-3-5-10)9-15(25-16)26(23,24)19-11-6-7-12(17(21)22)14(20)8-11/h1-9,19-20H,(H,21,22)
InChIKeyOPUPTXSWSIRTDW-UHFFFAOYSA-N
XLogP4.27
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid (CID 56595896) is 4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid is O=C(O)c1ccc(NS(=O)(=O)c2cc(-c3ccccc3)c(Cl)s2)cc1O.
What is the InChIKey of 4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is OPUPTXSWSIRTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO5S2/c18-16-13(10-4-2-1-3-5-10)9-15(25-16)26(23,24)19-11-6-7-12(17(21)22)14(20)8-11/h1-9,19-20H,(H,21,22).
What are the key properties of 4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid?
4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 409.87 g/mol, XLogP of 4.27, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-4-phenylthiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 56595896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).