2-hydroxybenzenesulfonic acid;styrene

C14H14O4S — CID 175395013

IUPAC2-hydroxybenzenesulfonic acid;styrene
SMILESC=Cc1ccccc1.O=S(=O)(O)c1ccccc1O
InChIInChI=1S/C8H8.C6H6O4S/c1-2-8-6-4-3-5-7-8;7-5-3-1-2-4-6(5)11(8,9)10/h2-7H,1H2;1-4,7H,(H,8,9,10)
InChIKeyLCKPENHIWYFOTE-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.97
Rot. Bonds2

About 2-hydroxybenzenesulfonic acid;styrene

2-hydroxybenzenesulfonic acid;styrene (PubChem CID 175395013) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-hydroxybenzenesulfonic acid;styrene.

Molecular Properties

Compound Name2-hydroxybenzenesulfonic acid;styrene
PubChem CID175395013
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name2-hydroxybenzenesulfonic acid;styrene
SMILESC=Cc1ccccc1.O=S(=O)(O)c1ccccc1O
InChIInChI=1S/C8H8.C6H6O4S/c1-2-8-6-4-3-5-7-8;7-5-3-1-2-4-6(5)11(8,9)10/h2-7H,1H2;1-4,7H,(H,8,9,10)
InChIKeyLCKPENHIWYFOTE-UHFFFAOYSA-N
XLogP2.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methylbenzenesulfonic acid;styrene;sulfane
CID 174831179
2-hydroxybenzenesulfonic acid;N-methylmethanamine
CID 87510356
3-but-3-en-2-yloxybut-1-ene;2-hydroxybenzenesulfonic acid
CID 174539210
2-ethenylbenzenesulfonic acid
CID 161490655
lithium;2-ethenylbenzenesulfonic acid;hydride
CID 173052957
phenol;styrene
CID 160675765
deuterio benzenesulfonate;styrene
CID 174461426
formaldehyde;molybdenum;styrene
CID 173281730
hydroxylamine;styrene
CID 18314782
ethenol;styrene
CID 66670047
benzene;ethene;styrene
CID 159006852
CID 57450570
CID 57450570

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzenesulfonic acid;styrene?
The IUPAC name of 2-hydroxybenzenesulfonic acid;styrene (CID 175395013) is 2-hydroxybenzenesulfonic acid;styrene.
What is the SMILES notation for 2-hydroxybenzenesulfonic acid;styrene?
The canonical SMILES for 2-hydroxybenzenesulfonic acid;styrene is C=Cc1ccccc1.O=S(=O)(O)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzenesulfonic acid;styrene?
The InChIKey is LCKPENHIWYFOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C6H6O4S/c1-2-8-6-4-3-5-7-8;7-5-3-1-2-4-6(5)11(8,9)10/h2-7H,1H2;1-4,7H,(H,8,9,10).
What are the key properties of 2-hydroxybenzenesulfonic acid;styrene?
2-hydroxybenzenesulfonic acid;styrene has a molecular weight of 278.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzenesulfonic acid;styrene is sourced from PubChem (CID 175395013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).