1-chloro-9H-fluorene-2-sulfonic acid;thiophene

C17H13ClO3S2 — CID 162031417

IUPAC1-chloro-9H-fluorene-2-sulfonic acid;thiophene
SMILESO=S(=O)(O)c1ccc2c(c1Cl)Cc1ccccc1-2.c1ccsc1
InChIInChI=1S/C13H9ClO3S.C4H4S/c14-13-11-7-8-3-1-2-4-9(8)10(11)5-6-12(13)18(15,16)17;1-2-4-5-3-1/h1-6H,7H2,(H,15,16,17);1-4H
InChIKeyYWBNDWFUJDGAPN-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.91
Rot. Bonds1

About 1-chloro-9H-fluorene-2-sulfonic acid;thiophene

1-chloro-9H-fluorene-2-sulfonic acid;thiophene (PubChem CID 162031417) has the molecular formula C17H13ClO3S2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 1-chloro-9H-fluorene-2-sulfonic acid;thiophene.

Molecular Properties

Compound Name1-chloro-9H-fluorene-2-sulfonic acid;thiophene
PubChem CID162031417
Molecular FormulaC17H13ClO3S2
Molecular Weight364.88 g/mol
Exact Mass364.00
IUPAC Name1-chloro-9H-fluorene-2-sulfonic acid;thiophene
SMILESO=S(=O)(O)c1ccc2c(c1Cl)Cc1ccccc1-2.c1ccsc1
InChIInChI=1S/C13H9ClO3S.C4H4S/c14-13-11-7-8-3-1-2-4-9(8)10(11)5-6-12(13)18(15,16)17;1-2-4-5-3-1/h1-6H,7H2,(H,15,16,17);1-4H
InChIKeyYWBNDWFUJDGAPN-UHFFFAOYSA-N
XLogP4.91
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-9H-fluorene-2-sulfonic acid;thiophene?
The IUPAC name of 1-chloro-9H-fluorene-2-sulfonic acid;thiophene (CID 162031417) is 1-chloro-9H-fluorene-2-sulfonic acid;thiophene.
What is the SMILES notation for 1-chloro-9H-fluorene-2-sulfonic acid;thiophene?
The canonical SMILES for 1-chloro-9H-fluorene-2-sulfonic acid;thiophene is O=S(=O)(O)c1ccc2c(c1Cl)Cc1ccccc1-2.c1ccsc1.
What is the InChIKey of 1-chloro-9H-fluorene-2-sulfonic acid;thiophene?
The InChIKey is YWBNDWFUJDGAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO3S.C4H4S/c14-13-11-7-8-3-1-2-4-9(8)10(11)5-6-12(13)18(15,16)17;1-2-4-5-3-1/h1-6H,7H2,(H,15,16,17);1-4H.
What are the key properties of 1-chloro-9H-fluorene-2-sulfonic acid;thiophene?
1-chloro-9H-fluorene-2-sulfonic acid;thiophene has a molecular weight of 364.88 g/mol, XLogP of 4.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-9H-fluorene-2-sulfonic acid;thiophene is sourced from PubChem (CID 162031417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).