benzene;sulfurochloridic acid

C6H7ClO3S — CID 22564087

IUPACbenzene;sulfurochloridic acid
SMILESO=S(=O)(O)Cl.c1ccccc1
InChIInChI=1S/C6H6.ClHO3S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H;(H,2,3,4)
InChIKeyIYMAUEAFOBSGCY-UHFFFAOYSA-N
MW194.64 g/mol
LogP1.71
Rot. Bonds

About benzene;sulfurochloridic acid

benzene;sulfurochloridic acid (PubChem CID 22564087) has the molecular formula C6H7ClO3S and a molecular weight of 194.64 g/mol. Its IUPAC name is benzene;sulfurochloridic acid.

Molecular Properties

Compound Namebenzene;sulfurochloridic acid
PubChem CID22564087
Molecular FormulaC6H7ClO3S
Molecular Weight194.64 g/mol
Exact Mass193.98
IUPAC Namebenzene;sulfurochloridic acid
SMILESO=S(=O)(O)Cl.c1ccccc1
InChIInChI=1S/C6H6.ClHO3S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H;(H,2,3,4)
InChIKeyIYMAUEAFOBSGCY-UHFFFAOYSA-N
XLogP1.71
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze benzene;sulfurochloridic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene;sulfurochloridic acid?
The IUPAC name of benzene;sulfurochloridic acid (CID 22564087) is benzene;sulfurochloridic acid.
What is the SMILES notation for benzene;sulfurochloridic acid?
The canonical SMILES for benzene;sulfurochloridic acid is O=S(=O)(O)Cl.c1ccccc1.
What is the InChIKey of benzene;sulfurochloridic acid?
The InChIKey is IYMAUEAFOBSGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.ClHO3S/c1-2-4-6-5-3-1;1-5(2,3)4/h1-6H;(H,2,3,4).
What are the key properties of benzene;sulfurochloridic acid?
benzene;sulfurochloridic acid has a molecular weight of 194.64 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;sulfurochloridic acid is sourced from PubChem (CID 22564087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).